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1-Pentanol

PubChem CID
6276
Structure
1-Pentanol_small.png
1-Pentanol_3D_Structure.png
1-Pentanol__Crystal_Structure.png
Molecular Formula
Synonyms
  • 1-Pentanol
  • Pentan-1-ol
  • 71-41-0
  • Amyl alcohol
  • Pentanol
Molecular Weight
88.15 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2005-03-26
  • Modify:
    2025-01-18
Description
N-pentanol appears as a colorless liquid with a mild to moderately strong odor. Less dense than water. Flash point 91 °F. Boiling point 280 °F. Vapors heavier than air. Moderately toxic by ingestion. Vapors may irritate skin and eyes. Used as a solvent and to make other chemicals.
Pentan-1-ol is a short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia. It has a role as a plant metabolite and a human metabolite. It is a pentanol and a short-chain primary fatty alcohol.
1-Pentanol has been reported in Camellia sinensis, Angelica gigas, and other organisms with data available.
See also: Pentanols (annotation moved to).

1 Structures

1.1 2D Structure

Chemical Structure Depiction
1-Pentanol.png

1.2 3D Conformer

1.3 Crystal Structures

1 of 2
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CCDC Number
Crystal Structure Data
Crystal Structure Depiction
Crystal Structure Depiction

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

pentan-1-ol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

AMQJEAYHLZJPGS-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.4 SMILES

CCCCCO
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C5H12O
Computed by PubChem 2.2 (PubChem release 2021.10.14)

C5H12O

CH3(CH2)3CH2OH

2.3 Other Identifiers

2.3.1 CAS

71-41-0
30899-19-5

2.3.3 European Community (EC) Number

2.3.4 UNII

2.3.5 UN Number

2.3.6 ChEBI ID

2.3.7 ChEMBL ID

2.3.8 DSSTox Substance ID

2.3.9 FEMA Number

2.3.10 HMDB ID

2.3.11 ICSC Number

2.3.12 JECFA Number

88

2.3.13 KEGG ID

2.3.14 Lipid Maps ID (LM_ID)

2.3.15 Metabolomics Workbench ID

2.3.16 Nikkaji Number

2.3.17 NSC Number

2.3.18 Wikidata

2.3.19 Wikipedia

2.4 Synonyms

2.4.1 MeSH Entry Terms

  • 1-pentanol
  • n-pentanol
  • n-pentanol, 1-(13)C-labeled cpd
  • n-pentanol, aluminum salt
  • n-pentanol, barium salt
  • n-pentanol, calcium salt
  • n-pentanol, magnesium salt
  • n-pentanol, potassium salt
  • n-pentanol, sodium salt
  • n-pentanol, titanium (4+) salt

2.4.2 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
88.15 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
1.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
88.088815002 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
88.088815002 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
20.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
6
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
19.9
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

3.2 Experimental Properties

3.2.1 Physical Description

N-pentanol appears as a colorless liquid with a mild to moderately strong odor. Less dense than water. Flash point 91 °F. Boiling point 280 °F. Vapors heavier than air. Moderately toxic by ingestion. Vapors may irritate skin and eyes. Used as a solvent and to make other chemicals.
Liquid; Water or Solvent Wet Solid
Colorless liquid; [Hawley]
Liquid
COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
colourless to pale yellow liquid

3.2.2 Color / Form

Colorless liquid
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 71

3.2.3 Odor

CHARACTERISTIC FUSEL-LIKE ODOR
Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 28
Mild odor
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 71

3.2.4 Taste

BURNING TASTE
Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 28

3.2.5 Boiling Point

280 °F at 760 mmHg (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
137.5 °C
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1277
136.00 to 138.00 °C. @ 760.00 mm Hg
The Good Scents Company Information System
138 °C

3.2.6 Melting Point

-110 °F (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
-79 °C
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1277
-78.9 °C

3.2.7 Flash Point

91 °F (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
38 °C
91 °F (33 °C) (CLOSED CUP)
Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-14
43 °C c.c.

3.2.8 Solubility

10 to 50 mg/mL at 63 °F (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
Miscible with alcohol, ether
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1277
Sol in acetone
Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V4: 3893
MISCIBLE WITH MOST ORG SOLVENTS
Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 28
In water, 22,000 mg/L at 25 °C
Yalkowsky, S.H., He, Yan., Handbook of Aqueous Solubility Data: An Extensive Compilation of Aqueous Solubility Data for Organic Compounds Extracted from the AQUASOL dATAbASE. CRC Press LLC, Boca Raton, FL. 2003., p. 182
22 mg/mL at 25 °C
Solubility in water, g/100ml at 20 °C: 2.2 (moderate)
miscible with alcohol

3.2.9 Density

0.818 at 59 °F (USCG, 1999) - Less dense than water; will float
U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
0.8146 @ 20 °C/4 °C
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1277
/Bulk density/ (wt/gal)= 6.9 lb at 20 °C.
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 71
Relative density (water = 1): 0.8
0.810-0.816

3.2.10 Vapor Density

3.04 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
3.0 (AIR= 1)
Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-13
Relative vapor density (air = 1): 3

3.2.11 Vapor Pressure

1 mmHg at 56.5 °F ; 2.8 mmHg at 68 °F (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
2.2 [mmHg]
2.2 mm Hg at 25 °C
Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 207
Vapor pressure, kPa at 20 °C: 0.6

3.2.12 LogP

low Kow= 1.51
Sangster J. LOGKOW Databank. A databank of evaluated octanol-water partition coefficients (Log P) on microcomputer diskette. Montreal, Quebec, Canada: Sangster Research Laboratories (1994)
1.51
SANGSTER (1994)

3.2.13 Henry's Law Constant

Henry's Law constant = 1.3X10-5 atm-cu m/mol at 25 °C
Butler JAV et al; J Chem Soc 280-285 (1935)

3.2.14 Autoignition Temperature

680 °F (USCG, 1999)
U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
572 °F (300 °C)
Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-14
320 °C

3.2.15 Viscosity

5 mm²/s at 20 °C

3.2.16 Heat of Combustion

-16,200 Btu/lb= -9,000 Cal/g
U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.

3.2.17 Heat of Vaporization

44.83 kJ/mol
Kirk-Othmer Encyclopedia of Chemical Technology. 4th ed. Volumes 1: New York, NY. John Wiley and Sons, 1991-Present., p. V2: 710 (1992)

3.2.18 Surface Tension

25.5 dynes/cm at 20 °C
Kirk-Othmer Encyclopedia of Chemical Technology. 4th ed. Volumes 1: New York, NY. John Wiley and Sons, 1991-Present., p. V2: 710 (1992)

3.2.19 Odor Threshold

Odor Threshold Low: 0.12 [mmHg]

Odor Threshold High: 20.03 [mmHg]

[Merck Index] Odor threshold low = 0.4332 mg/m3

Odor low: .4332 mg/cu m; Odor high: 72.2 mg/cu m
Ruth JH; Am Ind Hyg Assoc J 47: A-142-51 (1986)
Odor perception threshold is 0.12 or 0.7 mg/L; taste threshold concentration is 0.5 mg/L. According to other data, odor threshold concentration is 1.3 mg/L, and the taste threshold slightly higher.
Sheftel, V.O.; Indirect Food Additives and Polymers. Migration and Toxicology. Lewis Publishers, Boca Raton, FL. 2000., p. 779

3.2.20 Refractive Index

Index of refraction: 1.4103 at 20 °C/D
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1277
1.407-1.412

3.2.21 Kovats Retention Index

Standard non-polar
744.1 , 735 , 735 , 753 , 754 , 754 , 759 , 749 , 748.3 , 752 , 751.9 , 751.9 , 760 , 753 , 767 , 767 , 767 , 746 , 756 , 770 , 763 , 762 , 757.9 , 762.3 , 766.5 , 771.9 , 775.5 , 791.4 , 793.1 , 757.18 , 752.2 , 752.7 , 753.5 , 754.6 , 761.5 , 763.4 , 766 , 752.2 , 752.7 , 753.5 , 754.6 , 761.5 , 763.4 , 766 , 758 , 763 , 730.2 , 734.7 , 748 , 754 , 768 , 747 , 750 , 760 , 749 , 754 , 789 , 773 , 774 , 752 , 755 , 759 , 764 , 742 , 746 , 747 , 751 , 752 , 754 , 744 , 747 , 749 , 749 , 744 , 751 , 750 , 744 , 744 , 745 , 747 , 767 , 751 , 742 , 740 , 751 , 744 , 747 , 756 , 750 , 752.8 , 748 , 747 , 757 , 787 , 757 , 744 , 750 , 759 , 739.8 , 723 , 752 , 753 , 729.5 , 747 , 752 , 760 , 752 , 758 , 758 , 740 , 753 , 763 , 756 , 744 , 744 , 744 , 740 , 742 , 742 , 743 , 744 , 744 , 744 , 746 , 761 , 756 , 764 , 754 , 746 , 747 , 767 , 746 , 756 , 766 , 756 , 754 , 772 , 762 , 801 , 753.4
Semi-standard non-polar
764 , 765 , 766 , 760 , 760 , 756 , 766 , 768 , 768 , 765 , 764 , 763 , 779 , 781 , 772 , 766 , 767 , 778 , 760.4 , 783 , 769 , 761 , 772 , 760 , 770 , 760 , 776 , 768 , 764 , 764 , 765 , 775 , 758 , 763 , 768 , 768 , 758 , 800 , 765 , 771 , 780 , 764 , 765 , 766 , 764 , 766 , 762 , 761 , 775 , 746.4 , 728 , 731 , 730 , 736 , 746 , 722 , 730 , 751 , 765 , 768 , 773 , 762 , 762 , 762 , 769 , 763 , 762 , 769 , 759 , 762 , 771 , 776 , 779 , 767 , 769 , 771 , 759 , 765 , 760 , 764 , 768 , 767 , 760 , 763 , 764 , 764 , 772 , 749 , 765 , 765 , 768 , 768 , 765 , 759 , 764 , 766 , 780 , 765 , 764 , 764 , 761 , 760 , 760 , 763 , 744 , 770 , 770 , 755 , 766 , 775 , 765.4 , 749 , 761 , 771 , 769 , 766 , 776 , 768 , 774 , 760 , 745 , 767 , 766 , 768 , 763 , 764 , 760 , 730 , 767.6 , 766 , 764 , 763 , 766 , 763 , 759 , 764 , 766 , 772 , 766 , 781 , 772 , 771 , 756 , 766 , 764 , 792
Standard polar
1252 , 1262 , 1253 , 1256 , 1261 , 1262 , 1265 , 1244 , 1258 , 1260 , 1254 , 1252 , 1255 , 1252 , 1255 , 1241 , 1242 , 1220 , 1238 , 1255 , 1232 , 1242 , 1262 , 1232 , 1261 , 1239 , 1240 , 1249 , 1274 , 1274 , 1274 , 1249 , 1240 , 1260 , 1238 , 1274 , 1233 , 1251 , 1249 , 1238 , 1238 , 1240 , 1251 , 1245 , 1250 , 1256 , 1280 , 1239 , 1250 , 1249 , 1258 , 1231 , 1230 , 1250 , 1250 , 1251 , 1250 , 1233 , 1264 , 1294 , 1245 , 1241 , 1250 , 1248 , 1292 , 1235 , 1249 , 1256 , 1252 , 1252 , 1256 , 1246 , 1236 , 1241 , 1206 , 1249 , 1241 , 1236 , 1250 , 1258 , 1260 , 1251 , 1255 , 1258 , 1240 , 1236 , 1216 , 1253 , 1228 , 1260 , 1217 , 1255 , 1256 , 1230 , 1261 , 1271 , 1210 , 1238 , 1241 , 1256 , 1263 , 1288 , 1213 , 1214 , 1220 , 1256 , 1258 , 1236 , 1230 , 1208 , 1218 , 1222 , 1226 , 1237 , 1250 , 1255 , 1245 , 1245 , 1242 , 1250 , 1257 , 1265 , 1252 , 1249 , 1256 , 1256 , 1259 , 1260 , 1256 , 1265 , 1206 , 1233 , 1262 , 1258 , 1244 , 1231 , 1254 , 1256 , 1255 , 1262 , 1244 , 1242 , 1249 , 1255 , 1255 , 1237 , 1255 , 1256 , 1261 , 1258 , 1238 , 1224 , 1259 , 1260 , 1253 , 1253 , 1272 , 1256 , 1257 , 1259 , 1259 , 1259 , 1250 , 1241 , 1268 , 1255 , 1268 , 1264 , 1253 , 1255 , 1264 , 1248 , 1239 , 1249 , 1244 , 1255 , 1241 , 1213 , 1255 , 1252 , 1255 , 1253 , 1250 , 1262 , 1248 , 1205 , 1240 , 1272 , 1238 , 1253 , 1253 , 1260 , 1270.4 , 1233.9 , 1235.4 , 1275 , 1255 , 1260 , 1250 , 1248 , 1258 , 1253 , 1251 , 1226 , 1253 , 1244 , 1259 , 1259.2 , 1252 , 1233 , 1285 , 1217 , 1250 , 1276 , 1250 , 1235 , 1246 , 1210 , 1250 , 1254.9 , 1246 , 1248 , 1259 , 1228 , 1230 , 1245 , 1246 , 1249 , 1260 , 1245.6 , 1230 , 1246.5 , 1252 , 1262 , 1244 , 1260 , 1257 , 1266 , 1213 , 1244 , 1231 , 1242 , 1243 , 1243 , 1229 , 1231 , 1233 , 1249 , 1250.9 , 1250.9 , 1232 , 1270 , 1252 , 1252 , 1252 , 1231 , 1238 , 1200 , 1236 , 1213 , 1247 , 1247 , 1271 , 1245 , 1250 , 1247 , 1223 , 1224 , 1256 , 1256 , 1223 , 1224 , 1213 , 1236 , 1230 , 1237 , 1218 , 1236.1 , 1238.4

3.2.22 Other Experimental Properties

Ratio of specific heats of vapor (gas) = 1.06; Liquid water interfacial tension: 5 dynes/cm = 0.005 N/m at 20 °C
U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.
Hydroxyl radical reaction rate constant = 1.1X10-11 cu cm/molec-sec at 25 °C
Kwok ESC, Atkinson R; Estimation of hydroxyl radical reaction rate constants for gas-phase organic compounds using a structure-reactivity relationship: an update. Riverside, CA: Univ CA, Statewide Air Pollut Res CTR., CMA Contract NO. AFC-8.0-OR-8.0-OR (1994)

3.3 SpringerMaterials Properties

3.4 Chemical Classes

3.4.1 Food Additives

FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

3.4.2 Fragrances

Fragrance Ingredient (Amyl alcohol) -> IFRA transparency List

3.4.3 Lipids

Fatty Acyls [FA] -> Fatty alcohols [FA05]

3.4.4 Solvents

Solvents -> Alcohols (<C12)

4 Spectral Information

4.1 1D NMR Spectra

1 of 2
1D NMR Spectra
NMR: 10132 (Sadtler Research Laboratories Spectral Collection)
2 of 2
1D NMR Spectra

4.1.1 1H NMR Spectra

1 of 3
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Spectra ID
Instrument Type
JEOL
Frequency
400 MHz
Solvent
CDCl3
Shifts [ppm]:Intensity
1.28:30.00, 0.91:1000.00, 0.93:379.00, 1.52:89.00, 1.58:211.00, 1.55:181.00, 1.34:454.00, 3.63:30.00, 1.33:384.00, 0.89:394.00, 3.60:956.00, 0.90:233.00, 1.38:45.00, 1.37:84.00, 1.32:393.00, 1.55:206.00, 1.29:52.00, 0.93:78.00, 1.59:74.00, 3.05:779.00, 3.61:551.00, 1.55:134.00, 1.29:68.00, 1.34:546.00, 1.36:90.00, 0.94:48.00, 3.58:563.00, 1.37:51.00, 1.33:708.00, 1.56:297.00, 0.91:340.00, 1.38:35.00, 1.36:98.00, 0.95:30.00, 1.56:140.00, 1.34:290.00, 0.93:93.00, 1.59:59.00, 1.58:78.00, 1.54:240.00, 0.88:54.00, 1.30:112.00, 1.57:152.00, 1.57:136.00, 0.92:235.00, 1.31:297.00
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Instrument Name
BRUKER AC-300
Source of Sample
MCB Manufacturing Chemists, Norwood, Ohio
Copyright
Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
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4.1.2 13C NMR Spectra

1 of 3
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Spectra ID
Instrument Type
NEVA
Frequency
15.09 MHz
Solvent
CDCl3
Shifts [ppm]:Intensity
22.66:1000.00, 32.53:890.00, 62.68:970.00, 28.17:940.00, 14.09:790.00
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Source of Sample
Union Carbide Corporation, New York, New York
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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4.1.3 17O NMR Spectra

1 of 2
Copyright
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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2 of 2
Copyright
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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4.2 Mass Spectrometry

4.2.1 GC-MS

1 of 15
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Spectra ID
Instrument Type
EI-B
Ionization Mode
positive
Top 5 Peaks

42.0 99.99

55.0 67.80

41.0 62.20

70.0 50.70

29.0 46.40

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Notes
instrument=HITACHI RMU-6M
2 of 15
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Spectra ID
Instrument Type
EI-B
Ionization Mode
positive
Top 5 Peaks

42.0 99.99

55.0 74.38

70.0 57.25

41.0 50.23

31.0 37.44

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Notes
instrument=HITACHI M-80

4.2.2 Other MS

1 of 5
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Other MS
MASS: NIST 19493 (NIST/EPA/MSDC Mass Spectral Database, 1990 version)
2 of 5
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Authors
YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
Instrument
HITACHI RMU-6M
Instrument Type
EI-B
MS Level
MS
Ionization Mode
POSITIVE
Ionization
ENERGY 70 eV
Top 5 Peaks

42 999

55 678

41 622

70 507

29 464

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License
CC BY-NC-SA

4.3 UV Spectra

MAX ABSORPTION (UNDILUTED): 178 NM (LOG E= 2.4), 215 NM (LOG E= 1.55); SADTLER REFERENCE NUMBER: 52 (IR, PRISM)
Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-419

4.4 IR Spectra

IR Spectra
IR: 205 (Sadtler Research Laboratories IR Grating Collection)

4.4.1 FTIR Spectra

1 of 2
Technique
CAPILLARY CELL: NEAT
Source of Sample
Union Carbide Corporation, New York, New York
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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Instrument Name
Bruker Tensor 27 FT-IR
Technique
Neat
Source of Spectrum
Bio-Rad Laboratories, Inc.
Source of Sample
TCI Chemicals India Pvt. Ltd.
Catalog Number
P0055
Lot Number
353LL-KF
Copyright
Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
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4.4.2 ATR-IR Spectra

1 of 2
Technique
ATR-Neat
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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2 of 2
Instrument Name
Bruker Tensor 27 FT-IR
Technique
ATR-Neat (DuraSamplIR II)
Source of Spectrum
Bio-Rad Laboratories, Inc.
Source of Sample
TCI Chemicals India Pvt. Ltd.
Catalog Number
P0055
Lot Number
353LL-KF
Copyright
Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
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4.4.3 Near IR Spectra

1 of 2
Instrument Name
BRUKER IFS 88
Technique
NIR Spectrometer= INSTRUMENT PARAMETERS=INST=BRUKER,RSN=10950,REO=2,CNM=HEI,ZFF=2
Source of Spectrum
Prof. Buback, University of Goettingen, Germany
Copyright
Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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2 of 2
Instrument Name
BRUKER IFS 88
Technique
NIR Spectrometer= INSTRUMENT PARAMETERS=INST=BRUKER,RSN=10950,REO=2,CNM=HEI,ZFF=2
Source of Spectrum
Prof. Buback, University of Goettingen, Germany
Copyright
Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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4.4.4 Vapor Phase IR Spectra

1 of 2
Instrument Name
DIGILAB FTS-14
Technique
Vapor Phase
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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2 of 2
Instrument Name
Bruker IFS 85
Technique
Gas-GC
Copyright
Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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4.5 Raman Spectra

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Raman Spectra
Raman: 182 (Sadtler Research Laboratories Spectral Collection)
2 of 3
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Instrument Name
Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Technique
FT-Raman
Source of Spectrum
Bio-Rad Laboratories, Inc.
Source of Sample
TCI Chemicals India Pvt. Ltd.
Catalog Number
P0055
Lot Number
353LL-KF
Copyright
Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
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6 Chemical Vendors

7 Food Additives and Ingredients

7.1 Food Additive Classes

Flavoring Agents
JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT;

7.2 FEMA Flavor Profile

Balsamic, Fruit, Green, Pungent, Yeast

7.3 FDA Substances Added to Food

Substance
Used for (Technical Effect)
FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT
Document Number (21 eCFR)
FEMA Number
2056
GRAS Number
3
JECFA Flavor Number
88

7.4 Associated Foods

7.5 Evaluations of the Joint FAO / WHO Expert Committee on Food Additives - JECFA

Chemical Name
AMYL ALCOHOL
Evaluation Year
1997
ADI
No safety concern at current levels of intake when used as a flavouring agent
Tox Monograph

8 Pharmacology and Biochemistry

8.1 Absorption, Distribution and Excretion

...It is absorbed by GI tract, lung, and through the skin.
International Labour Office. Encyclopedia of Occupational Health and Safety. Vols. I&II. Geneva, Switzerland: International Labour Office, 1983., p. 1602
When rats were exposed by inhalation to 100, 300, or 600 ppm 6 hr/day, 5 days/week for 7 weeks, 1-pentanol was found in the brain at 0.2, 1.4, and 3.2 ppm, respectively. Similar but smaller values were found in rats exposed to the same concentrations for 14 weeks. 1-Pentanol is oxidized by alcohol dehydrogenase to /the aldehyde, and the aldehyde is then oxidized by aldehyde dehydrogenase to/ valeric acid in rats, and it can undergo further oxidation or be excreted in the urine.
Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. V6 p.429
After an oral dose of 0.5, 1, or 2 g/kg of 1-pentanol, the maximal blood levels in mice occurred at 10 min and were nonlinear. The blood levels were 7, 11, and 16 mg/dL, respectively. No 1-pentanol could be found in the blood after 4 hr.
Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. V6 p.429
Rats given 1g/kg of 1-pentanol (0.25 g at 15-min intervals) by intraperitoneal injection showed a peak blood concentration of about 21 mg% 1 hr after dosing started and disappearance from the blood after 3.5 hr. Only 0.88% and 0.29% were excreted in the expired air and urine, respectively. Rats given a 2-g/kg oral dose of 1-pentanol had a peak blood concentration of 20 to 25 mg% in 1 hour and essentially none after 4 hr. No alcohol was detected in the urine.
Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. V6 p.428
For more Absorption, Distribution and Excretion (Complete) data for N-PENTYL ALCOHOL (6 total), please visit the HSDB record page.

8.2 Metabolism / Metabolites

1-Pentanol is oxidized by alcohol dehydrogenase to /the aldehyde, and the aldehyde is then oxidized by aldehyde dehydrogenase to/ valeric acid in rats, and it can undergo further oxidation or be excreted in the urine.
Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. V6 p.429
Pentanol has known human metabolites that include (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-pentoxyoxane-2-carboxylic acid.
S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

8.3 Transformations

9 Use and Manufacturing

9.1 Uses

EPA CPDat Chemical and Product Categories
The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products, Scientific Data, volume 5, Article number: 180125 (2018), DOI:10.1038/sdata.2018.125
Sources/Uses
Used as a solvent (resins, gums, petroleum additives, synthetic flavors, hydraulic fluids), intermediate, lubricant, ore-flotation agent, plasticizer, corrosion inhibitor, and antioxidant; [HSDB] Occurs naturally in many foods; [CHEMINFO]
Industrial Processes with risk of exposure
Metal Extraction and Refining [Category: Industry]
In organic synthesis; as solvent.
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1277
Synthetic flavor
Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 793
Solvent for resins; diluent for hydraulic fluids; intermediate for n-pentyl acetate and other esters; intermediate for dithiophosphate esters (lubricating oil additive and hydraulic fluid additive).
SRI
Solvent in the manufacturing of petroleum additives, urea-formaldehyde plastics processing, organic chemical manufacturing and raw material for pharmaceutical preparations
Verschueren, K. Handbook of Environmental Data on Organic Chemicals. 3rd ed. New York, NY: Van Nostrand Reinhold Co., 1996., p. 1490
Amyl alcohols are used as solvents for resins and gums; as lubricants; frothers in ore-flotation process; plasticizers and solvents; corrosion inhibitors and antioxidants. /Amyl alcohols/
Kirk-Othmer Encyclopedia of Chemical Technology. 4th ed. Volumes 1: New York, NY. John Wiley and Sons, 1991-Present., p. V2: 709 (1992)

9.1.1 Use Classification

Food additives -> Flavoring Agents
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Hazard Classes and Categories -> Flammable - 3rd degree

9.1.2 Industry Uses

  • Solids separation agents
  • Paint additives and coating additives not described by other categories
  • Solvent
  • Intermediate

9.1.3 Consumer Uses

Paint additives and coating additives not described by other categories

9.1.4 Household Products

Household & Commercial/Institutional Products

Information on 2 consumer products that contain Amyl alcohol in the following categories is provided:

• Auto Products

• Home Maintenance

9.2 Methods of Manufacturing

BY HYDROGENATION OF VALERIC ALDEHYDE WITH SODIUM AMALGAM; FROM AMYL CHLORIDE.
Burdock, G.A. (ed.). Fenaroli's Handbook of Flavor Ingredients. 3rd Edition, Volumes 1-2. Boca Raton, FL: CRC Press 1994-1995., p. 36
Fractional distillation of mixed alcohols resulting from the chlorination and alkaline hydrolysis of pentane
Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 70
... Commercial processes for the production of amyl alcohols include separation from fusel oils, chlorination of C-5 alkanes with subsequent hydrolysis to produce a mixture of seven of the eight isomers ... and a low pressure oxo process, or hydroformylation, of C-4 olefins followed by hydrogenation of the resultant C-5 aldehydes. /Amyl Alcohols/
Kirk-Othmer Encyclopedia of Chemical Technology. 4th ed. Volumes 1: New York, NY. John Wiley and Sons, 1991-Present., p. V2 716 (1992)

9.3 Formulations / Preparations

Grade: Technical; CP; 98%.
Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 70
In commerce, however, amyl alcohol is generally a mixture of several isomers, typically 74% (by weight) 1-pentanol, 25% 2-methyl-1-butanol, and 1% 3-methyl-1-butanol.
Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984., p. II-173

9.4 U.S. Production

Aggregated Product Volume

2019: 1,000,000 lb - <20,000,000 lb

2018: 1,000,000 lb - <20,000,000 lb

2017: 1,000,000 lb - <20,000,000 lb

2016: 1,000,000 lb - <20,000,000 lb

1-Pentanol is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).
EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program. 1-Pentanol (71-41-0). Available from, as of December 19, 2005: https://www.epa.gov/hpv/pubs/general/opptsrch.htm
(1962) 5.5-6.8X10+9 GRAMS (ALL AMYL ALCOHOLS)
SRI
(1984) 8.52X10+11 g /ALLYL ALCOHOL, N-PENTYL ALCOHOL, 2-METHYL-1-BUTANOL/
USITC. SYN ORG CHEM-U.S. PROD/SALES 1984 p.256
(1986) >10 million - 50 million pounds
US EPA; Non-confidential Production Volume Information Submitted by Companies for Chemicals Under the 1986-2002 Inventory Update Rule (IUR). n-Pentyl Alcohol (71-41-0). Available from, as of July 28, 2005: https://www.epa.gov/oppt/iur/tools/data/2002-vol.html
For more U.S. Production (Complete) data for N-PENTYL ALCOHOL (8 total), please visit the HSDB record page.

9.5 General Manufacturing Information

Industry Processing Sectors
  • Printing and Related Support Activities
  • Mining (except Oil and Gas) and support activities
  • All Other Basic Organic Chemical Manufacturing
  • Paint and Coating Manufacturing
EPA TSCA Commercial Activity Status
1-Pentanol: ACTIVE
...Commercial amyl alcohol or fusel oil is toxic mixture of isomers of varying composition.
Grant, W. M. Toxicology of the Eye. 2nd ed. Springfield, Illinois: Charles C. Thomas, 1974., p. 134

10 Identification

10.1 Analytic Laboratory Methods

Method: AOAC 972.10, Alcohols (Higher) and Ethyl Acetate in Distilled Liquors; Procedure: Gas chromatography; Analyte: n-amyl alcohol; Matrix: distilled liquors; Detection Limit: not provided.
Horwitz W, ed.; Official Methods of Analysis of AOAC International 17th ed. (2003). CD-ROM, AOAC International, Gaithersburg, MD

11 Safety and Hazards

11.1 Hazards Identification

11.1.1 GHS Classification

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Pictogram(s)
Flammable
Irritant
Signal
Warning
GHS Hazard Statements

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501

(The corresponding statement to each P-code can be found at the GHS Classification page.)

ECHA C&L Notifications Summary

Aggregated GHS information provided per 394 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

11.1.2 Hazard Classes and Categories

Flam. Liq. 3 (100%)

Acute Tox. 4 (100%)

STOT SE 3 (100%)

Flam. Liq. 3 (100%)

Skin Corr. 1C (15.6%)

Skin Irrit. 2 (84.4%)

Eye Dam. 1 (26.5%)

Acute Tox. 4 (99.6%)

STOT SE 3 (97.5%)

11.1.3 NFPA Hazard Classification

NFPA 704 Diamond
1-3-0
NFPA Health Rating
1 - Materials that, under emergency conditions, can cause significant irritation.
NFPA Fire Rating
3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.
NFPA Instability Rating
0 - Materials that in themselves are normally stable, even under fire conditions.

11.1.4 Health Hazards

Irritation of skin, eyes, and respiratory tract; headache and vertigo; dyspnea and cough; nausea, vomiting, and diarrhea. Double vision, deafness, delirium, and occasionally fatal poisoning, preceded by severe nervous symptoms, have been reported. Coma, glycosuria, and methemoglobinemia can occur. (USCG, 1999)
U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.

11.1.5 Fire Hazards

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. (ERG, 2024)

Flammable. Heating will cause rise in pressure with risk of bursting. Above 43 °C explosive vapour/air mixtures may be formed.

11.1.6 Hazards Summary

A skin, eye, and respiratory tract irritant; Inhalation of high concentrations can cause CNS depression; [ICSC] Vapor can cause lacrimation, but no significant corneal injury; [HSDB]

11.1.7 Fire Potential

Extremely flammable if exposed to heat or flame.
Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 224

11.1.8 Skin, Eye, and Respiratory Irritations

Vapor may be irritating to eyes and upper respiratory tract.
Sax, N.I. Dangerous Properties of Industrial Materials. 6th ed. New York, NY: Van Nostrand Reinhold, 1984., p. 274

11.2 Safety and Hazard Properties

11.2.1 Flammable Limits

Lower flammable limit: 1.2% by volume; Upper flammable limit: 10.0% by volume at 212 °F (100 °C)
Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-14

11.2.2 Lower Explosive Limit (LEL)

1.2 % (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.

11.2.3 Upper Explosive Limit (UEL)

10 % (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.

11.2.4 Critical Temperature & Pressure

Critical temperature = 315.35 °C; Critical pressure = 3858 kPa
Kirk-Othmer Encyclopedia of Chemical Technology. 4th ed. Volumes 1: New York, NY. John Wiley and Sons, 1991-Present., p. V2: 710 (1992)

11.2.5 Explosive Limits and Potential

Lower explosive limit: 1.2%, upper explosive limit: 10% at 212 °F ... Explosion hazard: moderate, when exposed to flame.
Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 224
Heating will cause rise in pressure with risk of bursting. Above 33 °C explosive vapor/air mixtures may be formed.
IPCS, CEC; International Chemical Safety Card on 1-Pentanol. (April 1997). Available from, as of July 13, 2005: https://www.inchem.org/documents/icsc/icsc/eics0535.htm
Explosive limits , vol% in air: 1.2-10.5

11.3 First Aid Measures

Inhalation First Aid
Fresh air, rest. Refer for medical attention.
Skin First Aid
Remove contaminated clothes. Rinse skin with plenty of water or shower. Seek medical attention if you feel unwell.
Eye First Aid
Rinse with plenty of water (remove contact lenses if easily possible). Refer for medical attention.
Ingestion First Aid
Rinse mouth. Do NOT induce vomiting. Refer immediately for medical attention.

11.3.1 First Aid

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.

INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.

INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.

11.4 Fire Fighting

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam. Do not use dry chemical extinguishers to control fires involving nitromethane (UN1261) or nitroethane (UN2842).

LARGE FIRE: Water spray, fog or alcohol-resistant foam. Avoid aiming straight or solid streams directly onto the product. If it can be done safely, move undamaged containers away from the area around the fire.

FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

Use alcohol-resistant foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

11.4.1 Fire Fighting Procedures

Extinguish with dry chemical, alcohol foam, or carbon dioxide. Water may be ineffective on fire. Cool exposed containers with water.
U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Use "alcohol" foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources. /pentanols/
Association of American Railroads/Bureau of Explosives; Emergency Handling of Hazardous Materials in Surface Transportation. Association of American Railroads. Pueblo, CO. 2002., p. 712

11.4.2 Firefighting Hazards

The vapor is heavier than air and may travel along the ground; distant ignition possible.
IPCS, CEC; International Chemical Safety Card on 1-Pentanol. (April 1997). Available from, as of July 13, 2005: https://www.inchem.org/documents/icsc/icsc/eics0535.htm

11.5 Accidental Release Measures

11.5.1 Isolation and Evacuation

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.

LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).

FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

11.5.2 Spillage Disposal

Remove all ignition sources. Personal protection: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

11.5.3 Cleanup Methods

Environmental considerations: Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents. /pentanols/
Association of American Railroads/Bureau of Explosives; Emergency Handling of Hazardous Materials in Surface Transportation. Association of American Railroads. Pueblo, CO. 2002., p. 713
Environmental considerations: Water spill: Use natural barriers or oil spill control booms to limit spill travel. Remove trapped material with suction hoses. /pentanols/
Association of American Railroads/Bureau of Explosives; Emergency Handling of Hazardous Materials in Surface Transportation. Association of American Railroads. Pueblo, CO. 2002., p. 713
Environmental considerations: Air spill: Apply water spray or mist to knock down vapors. /pentanols/
Association of American Railroads/Bureau of Explosives; Emergency Handling of Hazardous Materials in Surface Transportation. Association of American Railroads. Pueblo, CO. 2002., p. 713
Remove all ignition sources. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent and remove to safe place. Do NOT wash away into sewer. Personal protection: filter respirator for organic gases and vapors.
IPCS, CEC; International Chemical Safety Card on 1-Pentanol. (April 1997). Available from, as of July 13, 2005: https://www.inchem.org/documents/icsc/icsc/eics0535.htm

11.5.4 Disposal Methods

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
The following wastewater treatment technologies have been investigated for pentanol: Activated carbon.
USEPA; Management of Hazardous Waste Leachate, EPA Contract No.68-03-2766 p.E-127 (1982)
Amyl alcohol is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration.
USEPA; Engineering Handbook for Hazardous Waste Incineration p.2-4 (1981) EPA 68-03-3025

11.5.5 Preventive Measures

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors. /pentanols/
Association of American Railroads/Bureau of Explosives; Emergency Handling of Hazardous Materials in Surface Transportation. Association of American Railroads. Pueblo, CO. 2002., p. 712
Personnel protection: Avoid breathing vapors. Keep upwind. Do not handle broken packages unless wearing appropriate personal protective equipment. If contact with the material is anticipated, wear appropriate chemical protective clothing. /pentanols/
Association of American Railroads/Bureau of Explosives; Emergency Handling of Hazardous Materials in Surface Transportation. Association of American Railroads. Pueblo, CO. 2002., p. 713
/To prevent/ explosion above 33 °C use a closed system, ventilation, and explosion-proof electrical equipment. /from table/
IPCS, CEC; International Chemical Safety Card on 1-Pentanol. (April 1997). Available from, as of July 13, 2005: https://www.inchem.org/documents/icsc/icsc/eics0535.htm
For more Preventive Measures (Complete) data for N-PENTYL ALCOHOL (6 total), please visit the HSDB record page.

11.6 Handling and Storage

11.6.1 Nonfire Spill Response

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.

LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)

11.6.2 Safe Storage

Fireproof. Separated from strong oxidants.

11.6.3 Storage Conditions

Fireproof. Separated from strong oxidants, and alkaline metals and alkaline-earth metals. Keep in a well-ventilated room.
IPCS, CEC; International Chemical Safety Card on 1-Pentanol. (April 1997). Available from, as of July 13, 2005: https://www.inchem.org/documents/icsc/icsc/eics0535.htm

11.7 Exposure Control and Personal Protection

Maximum Allowable Concentration (MAK)
20.0 [ppm]

11.7.1 Occupational Exposure Limits (OEL)

MAK (Maximale Arbeitsplatz Konzentration)
73 mg/m

11.7.2 Inhalation Risk

A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.

11.7.3 Effects of Short Term Exposure

The substance is irritating to the eyes, skin and respiratory tract. If swallowed the substance may cause vomiting and could result in aspiration pneumonitis. The substance may cause effects on the central nervous system. Exposure at high levels could cause lowering of consciousness.

11.7.4 Effects of Long Term Exposure

Repeated or prolonged contact with skin may cause dermatitis.

11.7.5 Personal Protective Equipment (PPE)

Face splash shield, goggles, protective clothing, and cartridge respirator. (USCG, 1999)
U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
Standard industrial hygiene controls should be used in limiting employee exposure. These include the use of barrier creams and personal protective clothing to prevent skin contact. canister-type respirators capable of absorbing organic vapor will protect against pulmonary absorption in areas with low levels of air contamination. Airline respirators or self-contained oxygen equipment should be used in enclosed work areas and where there is high level contamination. /phenyl alcohols/
International Labour Office. Encyclopedia of Occupational Health and Safety. Vols. I&II. Geneva, Switzerland: International Labour Office, 1983., p. 1603
Personnel protection: Wear appropriate chemical protective gloves, boots, and goggles. /pentanols/
Association of American Railroads/Bureau of Explosives; Emergency Handling of Hazardous Materials in Surface Transportation. Association of American Railroads. Pueblo, CO. 2002., p. 713

11.7.6 Preventions

Fire Prevention
NO open flames, NO sparks and NO smoking. Above 43 °C use a closed system, ventilation and explosion-proof electrical equipment.
Exposure Prevention
PREVENT GENERATION OF MISTS!
Inhalation Prevention
Use ventilation, local exhaust or breathing protection.
Skin Prevention
Protective gloves.
Eye Prevention
Wear safety goggles or eye protection in combination with breathing protection.
Ingestion Prevention
Do not eat, drink, or smoke during work.

11.8 Stability and Reactivity

11.8.1 Air and Water Reactions

Highly flammable. Soluble in water.

11.8.2 Reactive Group

Alcohols and Polyols

11.8.3 Reactivity Alerts

Highly Flammable

11.8.4 Reactivity Profile

Moderately toxic, flammable if exposed to powerful oxidizers. Incompatible with oxidizing materials, hydrogen trisulfide [Sax, 9th ed., 1996, p. 224].

11.8.5 Hazardous Reactivities and Incompatibilities

Attacks many alkaline and earth alkaline metals forming flammable/explosive gas.
IPCS, CEC; International Chemical Safety Card on 1-Pentanol. (April 1997). Available from, as of July 13, 2005: https://www.inchem.org/documents/icsc/icsc/eics0535.htm
Incompatible with oxidizing materials, hydrogen trisulfide.
Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 224

11.9 Transport Information

11.9.1 DOT Emergency Guidelines

/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. /Amyl alcohols; Pentanols/
U.S. Department of Transportation. 2004 Emergency Response Guidebook. A Guide book for First Responders During the Initial Phase of a Dangerous Goods/Hazardous Materials Incident. Washington, D.C. 2004
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. /Amyl alcohols; Pentanols/
U.S. Department of Transportation. 2004 Emergency Response Guidebook. A Guide book for First Responders During the Initial Phase of a Dangerous Goods/Hazardous Materials Incident. Washington, D.C. 2004
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering. /Amyl alcohols; Pentanols/
U.S. Department of Transportation. 2004 Emergency Response Guidebook. A Guide book for First Responders During the Initial Phase of a Dangerous Goods/Hazardous Materials Incident. Washington, D.C. 2004
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Amyl alcohols; Pentanols/
U.S. Department of Transportation. 2004 Emergency Response Guidebook. A Guide book for First Responders During the Initial Phase of a Dangerous Goods/Hazardous Materials Incident. Washington, D.C. 2004
For more DOT Emergency Guidelines (Complete) data for N-PENTYL ALCOHOL (8 total), please visit the HSDB record page.

11.9.2 Shipping Name / Number DOT/UN/NA/IMO

UN 1105; Pentanols
IMO 3.2; Pentanols
IMO 3.3; Pentanols

11.9.3 Shipment Methods and Regulations

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./
49 CFR 171.2; U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of February 5, 2004: https://www.ecfr.gov
The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.
IATA. Dangerous Goods Regulations. 45 th Ed. Montreal, Canada and Geneva, Switzerland. International Air Transport Association. Dangerous Goods Regulations, 2004.
The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.
IMDG; International Maritime Dangerous Goods Code; International Maritime Organization p.3269-1 (1998)

11.9.4 DOT Label

Flammable Liquid

11.9.5 EC Classification

Symbol: Xn; R: 10-20-37/38; S: (1/2)-36/37-46; Note: C

11.9.6 UN Classification

UN Hazard Class: 3; UN Pack Group: III

11.10 Regulatory Information

The Australian Inventory of Industrial Chemicals
Chemical: 1-Pentanol
The Australian Inventory of Industrial Chemicals
Chemical: Pentanol
REACH Registered Substance
New Zealand EPA Inventory of Chemical Status
Pentanol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
New Zealand EPA Inventory of Chemical Status
1-Pentanol: HSNO Approval: HSR001418 Approved with controls

11.10.1 Atmospheric Standards

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Amyl alcohol is produced, as an intermediate or a final product, by process units covered under this subpart.
40 CFR 60.489; U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 1, 2005: https://www.ecfr.gov

11.10.2 FDA Requirements

Amyl alcohol is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.
21 CFR 172.515; U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 1, 2005: https://www.ecfr.gov

11.11 Other Safety Information

11.11.1 Other Hazardous Reactions

Flashack along vapor trail may occur.
U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.

11.11.2 Special Reports

European Chemicals Bureau; IUCLID Dataset, Pentan-1-ol (71-41-0) (2000 CD-ROM edition). Available from the database query page: http://ecb.jrc.it/esis/esis.php as of July 13, 2005.

12 Toxicity

12.1 Toxicological Information

12.1.1 Exposure Routes

The substance can be absorbed into the body by inhalation, through the skin and by ingestion.

12.1.2 Symptoms

Inhalation Exposure
Cough. Sore throat. Headache. Nausea. Dizziness. Drowsiness. Unconsciousness.
Skin Exposure
Redness. Pain.
Eye Exposure
Redness. Pain. Temporary loss of vision.
Ingestion Exposure
Abdominal pain. Burning sensation in the throat and chest. Further see Inhalation.

12.1.3 Adverse Effects

Neurotoxin - Acute solvent syndrome

Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

12.1.4 Acute Effects

12.1.5 Toxicity Data

LCLo (rat) = 14,000 mg/m3/6h

12.1.6 Antidote and Emergency Treatment

There is no antidote for intoxication /of pentyl alcohols/. If symptoms develop, the victim should be removed from the contaminated area and given supportive treatment if it is needed. /Pentyl alcohols/
International Labour Office. Encyclopedia of Occupational Health and Safety. Vols. I&II. Geneva, Switzerland: International Labour Office, 1983., p. 1603
Basic Treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Monitor for pulmonary edema and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Higher alcohols (>3 carbons) and related compounds/
Bronstein, A.C., P.L. Currance; Emergency Care for Hazardous Materials Exposure. 2nd ed. St. Louis, MO. Mosby Lifeline. 1994., p. 200-01
Advanced Treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious or has severe pulmonary edema. Positive-pressure ventilation techniques, with a bag-valve-mask device, may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Monitor for signs of hypoglycemia (decreased LOC, tachycardia, pallor, dilated pupils, diaphoresis, and/or dextrose strip or glucometer readings below 50 mg) and administer 50% dextrose if necessary ... . Treat seizures with diazepam (Valium) ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Consider drug therapy for pulmonary edema ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Higher alcohols (>3 carbons) and related compounds/
Bronstein, A.C., P.L. Currance; Emergency Care for Hazardous Materials Exposure. 2nd ed. St. Louis, MO. Mosby Lifeline. 1994., p. 201

12.1.7 Human Toxicity Excerpts

/SIGNS AND SYMPTOMS/ ... Inhalation of amyl alcohol vapors by man caused ... vertigo ... dyspnea, and cough ... double vision, deafness, delirium, and occasionally fatal poisoning, preceded by severe nervous symptoms, have been ascribed ... to effects of absorption of amyl alcohol.
Patty, F. (ed.). Industrial Hygiene and Toxicology: Volume II: Toxicology. 2nd ed. New York: Interscience Publishers, 1963., p. 1457
/SIGNS AND SYMPTOMS/ Amyl alcohol vapor causes stinging sensation of eyes and irritation of the respiratory passages ... producing lacrimation, and hyperemia of conjunctiva, but no significant corneal injury.
Grant, W.M. Toxicology of the Eye. 3rd ed. Springfield, IL: Charles C. Thomas Publisher, 1986., p. 98
/SIGNS AND SYMPTOMS/ /Neurotoxic effects of 1-pentanol include/ delirium; deafness; diplopia; CNS depression; preconvulsive movement; iritis. /From table/
O'Donoghue, J.L. (ed.). Neurotoxicity of Industrial and Commercial Chemicals. Volume I. Boca Raton, FL: CRC Press, Inc., 1985., p. 123
/SIGNS AND SYMPTOMS/ Repeated or prolonged contact with skin may cause dermatitis.
IPCS, CEC; International Chemical Safety Card on 1-Pentanol. (April 1997). Available from, as of July 13, 2005: https://www.inchem.org/documents/icsc/icsc/eics0535.htm
/CASE REPORTS/ Long ago a disturbance of color vision in a brewer ... /allegedly/ caused by amyl alcohol ... otherwise ... no authentic case of visual disturbance from amyl alcohol ... .
Grant, W.M. Toxicology of the Eye. 3rd ed. Springfield, IL: Charles C. Thomas Publisher, 1986., p. 98

12.1.8 Non-Human Toxicity Excerpts

/LABORATORY ANIMALS: Acute Exposure/ In an acute inhalation study, groups of 10 mice, rats, and guinea pigs were exposed to the aerosolized mixture calculated to be 14 mg/L for 6 hr. Two rats and seven mice died during the exposure; all other animals survived. Histological examinations showed the lung and kidney as the principal target organs. Appreciable lung edema was observed in the mice. Aspiration of 0.2 mL n-amyl alcohol caused deaths in 10 out of 10 rats. The deaths were instantaneous and were attributed to cardiac and respiratory arrest.
Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. V6 p. 428
/LABORATORY ANIMALS: Acute Exposure/ Irritating when applied for 24 hr, occlusive to intact skin of rabbits. /74% Pentan-1-ol, 25% 2-Methyl-1-butanol, 1% 3-Methyl-1-butanol/
European Chemicals Bureau; IUCLID Dataset, Pentan-1-ol (71-41-0) (2000 CD-ROM edition). Available from, as of July 13, 2005: https://esis.jrc.ec.europa.eu/
/LABORATORY ANIMALS: Acute Exposure/ Sensory irritation due to inhalation of n-pentanol, n-heptanol, sec-butanol and tert-pentanol was determined from the reflexively induced decrease in respiratory rate in CF-1 mice. The concentration-effect relations followed Michaelis-Menten equations, complying with receptor mediated processes. The relations were transformed into nearly rectilinear relationships in log concentration-effect plots, and the extrapolated threshold concentrations (RD-0) from the lines were 120, 28, 640 and 1210 ppm, respectively, obtained from the first 2 min of the exposure period. These values were comparable to those found in Swiss-Webster mice and to those obtained by electrophysiological experiments in Sprague-Dawley rats. The hydrophobic properties of the receptor biophase were found to approach that of the internal part of the bilayer membrane. Estimates on threshold limit values (TLV) were obtained and were found in reasonable agreement with the established values. The nose has a scrubbing effect, which reduces the concentration in the lungs in normal mice. n-Pentanol, sec-butanol and tert-pentanol decreased tidal volume in normal mice, explained either by an activation of receptors in the upper airways or by a sensitization of the stretch receptors. Two types of pulmonary responses were seen in tracheal-cannulated mice, which could be explained by an effect on stretch receptors and another type of lung receptors.
Hansen LF, Nielsen GD; Toxicology 88 (1-3): 81-99 (1994)
/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ N-Amyl alcohol in corn oil administered to rats by oral intubation at levels of 0, 50, 150 or 1000 mg/kg bw/day for 13 wk had no demonstrable effect on food consumption, body and organ weight, hematological values, etc.
Butterworth KR et al; Food Cosmet Toxicol 16 (3): 203-208 (1978)
For more Non-Human Toxicity Excerpts (Complete) data for N-PENTYL ALCOHOL (16 total), please visit the HSDB record page.

12.1.9 Non-Human Toxicity Values

LD50 Rabbit dermal 2000 mg/kg bw
European Chemicals Bureau; IUCLID Dataset, Pentan-1-ol (71-41-0) (2000 CD-ROM edition). Available from, as of July 13, 2005: https://esis.jrc.ec.europa.eu/
LD50 Mouse ip about 325 mg/kg bw
European Chemicals Bureau; IUCLID Dataset, Pentan-1-ol (71-41-0) (2000 CD-ROM edition). Available from, as of July 13, 2005: https://esis.jrc.ec.europa.eu/
LD50 Mouse iv 184 mg/kg bw
European Chemicals Bureau; IUCLID Dataset, Pentan-1-ol (71-41-0) (2000 CD-ROM edition). Available from, as of July 13, 2005: https://esis.jrc.ec.europa.eu/
LD50 Mouse oral 200 mg/kg
Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 224
LD50 Rat oral 2200 mg/kg bw
European Chemicals Bureau; IUCLID Dataset, Pentan-1-ol (71-41-0) (2000 CD-ROM edition). Available from, as of July 13, 2005: https://esis.jrc.ec.europa.eu/

12.2 Ecological Information

12.2.1 Ecotoxicity Values

LC50 Brachydanio rerio (Zebra fish) 530 mg/L/96 hr; static
European Chemicals Bureau; IUCLID Dataset, Pentan-1-ol (71-41-0) (2000 CD-ROM edition). Available from, as of July 13, 2005: https://esis.jrc.ec.europa.eu/
LC50 Leuciscus idus (Golden orfe) 479 mg/L/48 hr; static
European Chemicals Bureau; IUCLID Dataset, Pentan-1-ol (71-41-0) (2000 CD-ROM edition). Available from, as of July 13, 2005: https://esis.jrc.ec.europa.eu/
LC50 Pimephales promelas (Fathead minnow, fry <24 hr old) 606 mg/L/96 hr; flow through
European Chemicals Bureau; IUCLID Dataset, Pentan-1-ol (71-41-0) (2000 CD-ROM edition). Available from, as of July 13, 2005: https://esis.jrc.ec.europa.eu/
LC50 Alburnus alburnus (Bleak) 470 mg/L/96 hr; static
European Chemicals Bureau; IUCLID Dataset, Pentan-1-ol (71-41-0) (2000 CD-ROM edition). Available from, as of July 13, 2005: https://esis.jrc.ec.europa.eu/
For more Ecotoxicity Values (Complete) data for N-PENTYL ALCOHOL (20 total), please visit the HSDB record page.

12.2.2 Ecotoxicity Excerpts

/AQUATIC SPECIES/ This study describes effects of selected nonpolar narcotics of varying hydrophobicity (quantified by the 1-octanol-water partition coefficient, log Kow) and molecular structure on the population growth kinetics of the freshwater ciliate Tetrahymena pyriformis. The response of Tetrahymena exposed to different nonpolar narcotics varied from a change in generation time to a change in lag phase with similar generation time compared to control. Two narcotics with high (>3.00), intermediate (>0.00 and <3.00), and low log Kow (<0. 00) values were tested. Growth of Tetrahymena inhibited up to 85% by the high log Kow toxicants (2-decanone and butylbenzene) grew with similar rates as the control, but exhibited increased lag time, suggesting that the protozoan became acclimated to toxicant stress. Results from growth of Tetrahymena in the low log Kow toxicants (ethanol and acetone) indicate an increased generation time with increasing concentration. Cells inhibited by the intermediate log Kow chemicals, 1-pentanol and anisole, exhibited a response that was a combination of the previously mentioned two contrary responses. Cells inhibited <35% with 1-pentanol and <50% with anisole grew with similar generation times as control flasks, whereas in cells inhibited >35% or >50%, respectively, the doubling times were longer than control growth.
Bearden AP et al; Ar ch Environ Contam Toxicol 33 (4): 401-6 (1997)

12.2.3 Environmental Fate / Exposure Summary

n-Pentyl alcohol's production and use as a solvent in the manufacturing of petroleum additives, urea-formaldehyde plastics processing, organic chemical manufacturing and raw material for pharmaceutical preparations, may result in its release to the environment through various waste streams. n-Pentyl alcohol occurs in animal wastes and in essential oils of vegetation. It also occurs in volatile components of many foods. If released to air, a vapor pressure of 2.2 mm Hg at 25 °C indicates n-pentyl alcohol will exist solely as a vapor in the ambient atmosphere. Vapor-phase n-pentyl alcohol will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 2 days. If released to soil, n-pentyl alcohol is expected to have moderate mobility based upon an estimated Koc of 160. Volatilization from moist soil surfaces is expected to be an important fate process based upon a Henry's Law constant of 1.3X10-5 atm-cu m/mole. n-Pentyl alcohol may also volatilize from dry soil surfaces based on its vapor pressure. Screening studies using sewage inoculum suggests that n-pentyl alcohol will degrade readily in the environment under aerobic and anaerobic conditions. If released into water, n-pentyl alcohol is not expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 43 hours and 23 days, respectively. Hydrolysis is not expected to be an important environmental fate process since this compound does not contain functional groups that hydrolyze under environmental conditions. An estimated BCF of 3 suggests the potential for bioconcentration in aquatic organisms is low. Occupational exposure to n-pentyl alcohol may occur through inhalation and dermal contact with this compound at workplaces where n-pentyl alcohol is produced or used. Monitoring data indicate that the general population may be exposed to n-pentyl alcohol via inhalation of ambient air, ingestion of food and drinking water. (SRC)

12.2.4 Natural Pollution Sources

n-Pentyl alcohol occurs naturally in animal wastes and in essential oils of vegetation(1). It also occurs naturally as a volatile component of many foods including blue cheese(2), cassava(3), nectarine(4), chickpea seed(6) and kiwi fruit flowers(5).
(1) Graedel TE et al; Atmospheric Chemical Compounds. Orlando,FL: Academic Press, Inc p .236 (1986)
(2) Day EA, Anderson DF; J Agric Food Chem 13: 2-4 (1965)
(3) Dougan J et al; J Sci Food Agric 34: 874-84 (1983)
(4) Takeoka GR et al; J Agric Food Chem 36: 553-60 (1988)
(5) Tatsuka K et al; J Agric Food Chem 38: 2176-80 (1990)
(6) Rembold H et al; J Agric Food Chem 37: 659-62 (1989)
IN ESSENTIAL OILS OF BRAZILIAN & AMERICAN PEPPERMINT, SPANISH "ORIGANUM", THYMUS MARSHALLIANUS, ARTEMISIA HERBA-ALBA, EUCALYPTUS CANUTA, E AGGREGATA, OREGANUM, & COTTONSEED OIL. ... ALSO /IN/ ... BITTER ORANGE OIL ...
Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 28

12.2.5 Artificial Pollution Sources

n-Pentyl alcohol's production and use as a solvent in the manufacturing of petroleum additives, urea-formaldehyde plastics processing, organic chemical manufacturing and raw material for pharmaceutical preparations(1) may result in its release to the environment through various waste streams(SRC).
(1) Verschueren K; Handbook of Environmental Data on Organic Chemicals. 3rd ed. New York, NY: Van Nostrand Reinhold Co. p 1490 (1996)

12.2.6 Environmental Fate

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 160(SRC), determined from a log Kow of 1.51(2)and a regression-derived equation(3), indicates that n-pentyl alcohol is expected to have moderate mobility in soil(SRC). Volatilization of n-pentyl alcohol from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 1.3X10-5 atm-cu m/mole(4). The potential for volatilization of n-pentyl alcohol from dry soil surfaces may exist (SRC) based upon a vapor pressure of 2.2 mm Hg(5). Screening studies using sewage inoculum(6-9) suggest that n-pentyl alcohol will readily degrade in soils under aerobic and anaerobic conditions(SRC).
(1) Swann RL et al; Res Rev 85: 17-28 (1983)
(2) Sangster J; LOGKOW Databank. A databank of evaluated octanol-water partition coefficients (Log P) on microcomputer diskette. Montreal, Quebec, Canada: Sangster Research Laboratories (1994)
(3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990)
(4) Butler JAV et al; J Chem Soc 280-285 (1935)
(5) Riddick JA et al; Organic Solvents Vol 2 4th ed. NY, NY: John Wiley & Sons, p. 205-7 (1986)
(6) Dias FF, Alexander M; Appl Microbiol 22: 1114-18 (1971)
(7) Vaishnav DD et al; Chemosphere 16: 695-703 (1987)
(8) Wagner R; Vom Wasser 47: 241-65 (1976)
(9) Shelton DR, Tiedje JM; Development of Test for Determining Anaerobic Biodegradation Potential USEPA-560/5-81-013, NTIS PB84-166495, Springfield, VA (1981)
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 160(SRC), determined from a log Kow of 1.51(2) and a regression-derived equation(3), indicates that n-pentyl alcohol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 1.3X10-5 atm-cu m/mole(4) Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 43 hours and 23 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). The rate constant for the reaction of n-pentyl alcohol with hydroxyl radicals in aqueous solution has a maximum value of 4.8X10+9/M-sec at a pH of 5(7,8). Based on this rate constant and a value of 10-17 M for the concentration of hydroxyl radical in eutrophic water(9), the half-life of n-pentyl alcohol due to this reaction can be estimated to be 56 days. Therefore, this reaction should not be important in water(SRC). Biodegradation tests of n-pentyl alcohol with sewage and activated sludge(10-13) indicate that aerobic biodegradation will occur in natural water. Biodegradation tests under anaerobic conditions(14,15) suggests that biodegradation of the compound should occur in anaerobic water and sediment(SRC).
(1) Swann RL et al; Res Rev 85: 17-28 (1983)
(2) Sangster J; LOGKOW Databank. A databank of evaluated octanol-water partition coefficients (Log P) on microcomputer diskette. Montreal, Quebec, Canada: Sangster Research Laboratories (1994)
(3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9, 15-1 to 15-29 (1990)
(4) Butler JAV et al; J Chem Soc 280-285 (1935)
(5) Franke C et al; Chemosphere 29: 1501-14 (1994)
(6) Meylan WM et al; Environ Toxicol Chem 18: 664-72 (1999)
(7) Dorfman LM, Adams GE; Reactivity of the Hydroxyl Radical in Aqueous Solution NSRD-NBS-46, (NTIS COM-73-50623) Natl Bureau Stand, Washington DC p. 24 (1973)
(8) Anbar M, Neta P; Int J Appl Radiation and Isotopes 18: 493-523 (1967)
(9) Neely WB, Blau GE; p. 207 in Environmental Exposure from Chemicals Vol I. CRC Press, Boca Raton FL (1985)
(10) Heukelekian H, Rand MC; J Water Pollut Control Assoc 29: 1040-53 (1955)
(11) Yonezawa Y, Urushikuni Y; Chemosphere: 139-42 (1979)
(12) Vaishnav DD et al; Chemosphere 16: 695-703 (1987)
(13) Therien N et al; Water Res 18: 905-10 (1984)
(14) Shelton DR, Tiedje JM; Development of Test for Determining Anaerobic Biodegradation Potential USEPA-560/5-81-013, NTIS PB84-166495, Springfield, VA (1981)
(15) Hovious JC et al; Anaerobic Treatment of Synthetic Organic Wastes, USEPA 12020 DIS 01/72, Off Res Monit, Washington DC (1972)
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-pentyl alcohol , which has a vapor pressure of 2.2 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase n-pentyl alcohol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 2 days(SRC), calculated from its rate constant of 1.1X10-11 cu cm/molecule-sec at 25 °C(3).
(1) Bidleman TF; Environ Sci Technol 22: 361-367 (1988)
(2) Riddick JA et al; Organic Solvents Vol 2 4th ed. NY, NY: John Wiley & Sons, p. 205-7 (1986)
(3) Kwok ESC, Atkinson R; Estimation of hydroxyl radical reaction rate constants for gas-phase organic compounds using a structure-reactivity relationship: an update. Riverside, CA: Univ CA, Statewide Air Pollut Res CTR., CMA Contract NO. AFC-8.0-OR-8.0-OR (1994)

12.2.7 Environmental Biodegradation

AEROBIC: In 5-day BOD tests with sewage as microbial inoculum, the oxygen consumption of n-pentyl alcohol ranged from 59 to 86.9% of the theoretical BOD(1,4-7). In a Warburg test with activated sludge as inoculum, the oxygen consumption at 1 day of incubation was 28% of the theoretical value(3). At concentrations above 300 mg/L, n-pentyl alcohol may have an inhibitory effect on the oxidative respiratory rate in the presence of activated sludge(8). The first order rate constants (at a constant microorganism concn) for biodegradation of n-pentyl alcohol in non-adapted activated sludge was 0.0285 per hr(2) corresponding to an aerobic biodegradation half-life of 1 day.
(1) Heukelekian H, Rand MC; J Water Pollut Control Assoc 29: 1040-53 (1955)
(2) Yonezawa Y, Urushikuni Y; Chemosphere: 139-42 (1979)
(3) Gerhold RM, Malaney GW; J Water Poll Control Fed 38: 562-79 (1966)
(4) Dias FF, Alexander M; Appl Microbiol 22: 1114-18 (1971)
(5) Vaishnav DD et al; Chemosphere 16: 695-703 (1987)
(6) Wagner R; Vom Wasser 47: 241-65 (1976)
(7) Babeu L, Vaishnav DD; J Ind Microbiol 2: 107-15 (1987)
(8) Therien N et al; Water Res 18: 905-10 (1984)
ANAEROBIC: After a lag period of 7 days, 95-100% of n-pentyl alcohol biodegraded in 49 days under anaerobic conditions with digester sludge as microbial inoculum(1). The removal of n-pentyl alcohol at retention times of 4-5 days was 100% in anaerobic lagoons containing digester sludge or activated sludge as microbial inoculum(2). n-Pentyl alcohol biodegraded in two soils under both aerobic and anaerobic conditions(3).
(1) Shelton DR, Tiedje JM; Development of Test for Determining Anaerobic Biodegradation Potential USEPA-560/5-81-013, NTIS PB84-166495, Springfield, VA (1981)
(2) Hovious JC et al; Anaerobic Treatment of Synthetic Organic Wastes, EPA 12020 DIS 01/72, Off Res Monit Washington DC (1972)
(3) Morris MS; Diss. Abstr Int B 42: 2766 (1989)

12.2.8 Environmental Abiotic Degradation

The rate constant for the reaction of n-pentyl alcohol with photochemically-produced hydroxyl radicals in the atmosphere is 1.1X10-11 cu-cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of 2 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm. The rate constant for the reaction of n-pentyl alcohol with hydroxyl radicals in aqueous solution has a maximum value of 4.8X10+9/M-sec at a pH of 5(2,3). Based on this rate constant and a value of 10-17 M for the concentration of hydroxyl radical in eutrophic water(4), the half-life of n-pentyl alcohol due to this reaction can be estimated to be 56 days. Therefore, this reaction should not be important in water(SRC). n-Pentyl alcohol does not contain any functional group that are amenable to hydrolysis(5). Similarly, n-pentyl alcohol does not contain chromophores that absorb at wavelengths >290 nm(1) and the longest wavelength absorption band in the alcohols occur at wavelength below 200 nm(6). Therefore, n-pentyl alcohol is not expected to be susceptible to direct photolysis by sunlight(SRC).
(1) Kwok ESC, Atkinson R; Estimation of hydroxyl radical reaction rate constants for gas-phase organic compounds using a structure-reactivity relationship: an update. Riverside, CA: Univ CA, Statewide Air Pollut Res CTR., CMA Contract NO. AFC-8.0-OR-8.0-OR (1994)
(2) Dorfman LM, Adams GE; Reactivity of the Hydroxyl Radical in Aqueous Solution NSRD-NBS-46, (NTIS COM-73-50623) Natl Bureau Stand, Washington DC p. 24 (1973)
(3) Anbar M, Neta P; Int J Appl Radiation and Isotopes 18: 493-523 (1967)
(4) Neely WB, Blau GE; p. 207 in Environmental Exposure from Chemicals Vol I. CRC Press, Boca Raton FL (1985)
(5) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY: McGraw-Hill pp. 7-4, 8-13 (1982)
(6) Calvert JG, Pitts JN, Jr; Photochemistry NY: John Wiley & Sons, Inc p. 441 (1966)

12.2.9 Environmental Bioconcentration

An estimated BCF of 3 was calculated for n-pentyl alcohol(SRC) using a log Kow of 1.51(1) and a regression derived equation(2). Based on a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
(1) Sangster J; LOGKOW Databank. A databank of evaluated octanol-water partition coefficients (Log P) on microcomputer diskette. Montreal, Quebec, Canada: Sangster Research Laboratories (1994)
(2) Meylan WM et al; Environ Toxicol Chem 18: 664-72 (1999)
(3) Franke C et al; Chemosphere 29: 1501-14 (1994)

12.2.10 Soil Adsorption / Mobility

The Koc of n-pentyl alcohol is estimated as 160(SRC), using a log Kow of 1.51(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-pentyl alcohol is expected to have moderate mobility in soil.
(1) Sangster J; LOGKOW Databank. A databank of evaluated octanol-water partition coefficients (Log P) on microcomputer diskette. Montreal, Quebec, Canada: Sangster Research Laboratories (1994)
(2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY, NY: McGraw-Hill pp. 4-9 (1982)
(3) Swann RL et al; Res Rev 85: 17-28 (1983)

12.2.11 Volatilization from Water / Soil

The Henry's Law constant for n-pentyl alcohol is 1.3X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that n-pentyl alcohol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) (2) is estimated as 43 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) (2) is estimated as 23 days(SRC) The potential for volatilization of n-pentyl alcohol from dry soil surfaces may exist(SRC) based upon a vapor pressure of 2.2 mm Hg(3).
(1) Butler JAV et al. J Chem Soc 280-285 (1935)
(2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
(3) Riddick JA et al; Organic Solvents Vol 2 4th ed. NY, NY: John Wiley & Sons, p. 205-7 (1986)

12.2.12 Environmental Water Concentrations

DRINKING WATER: n-Pentyl alcohol was identified, not quantified, in drinking water of unspecified location(s) in the U.S.(1). It was also detected in drinking water from Cincinnati, OH in 1976/1978/1980 surveys(2) and in drinking water from Seattle, WA in a 1976 survey(2). An unspecified isomer of pentyl alcohol was detected at a concn 0.001 mg/L in the drinking water of Washington, DC(3).
(1) Kopfler FC et al; Adv Environ Sci Technol 8: 419-33 (1977)
(2) Lucas SA; GC/MS Analysis of Organics in Drinking Water Concentrates and Advanced Waste Treatment Concentrates Vol 1. USEPA-600/1-84-020a, Health Effects Research Lab. Office of Res. Dev. Research Triangle Park, NC p. 215 (1984)
(3) Scheiman MA et al; Biomed Mass Spectrom 4: 209-11 (1974)
SURFACE WATER: n-Pentyl alcohol was identified, not quantified, in sea water near Kitakyushu area of Japan(1).
(1) Akiyama T et al; J UOEH 2: 285-300 (1980)
GROUNDWATER: Unspecified isomer(s) of pentyl alcohol were detected at a concn 11.66 mg/L in groundwater from a sanitary landfill near Wilmington, DE(1). Unspecified isomer(s) of pentyl alcohol were also detected at a concn 0.065 mg/L in 1 of 2 municipal solid waste landfill leachate sample from Minnesota(2).
(1) Dewalle FB, Chian ESK; J Am Water Works Assoc 73: 206-11 (1981)
(2) Sabel GV, Clark TP; Waste Manag Res 2: 119-30 (1984)

12.2.13 Effluent Concentrations

n-Pentyl alcohol was detected in the effluents from advanced waste water treatment facilities from Orange county, CA and Washington, DC(1). n-Pentyl alcohol is likely to be found in effluents from the following industries: plastics, synthetic resins and some elastomers; synthetic rubber; cleaning, polishing and sanitation preparation; industrial organic chemical; and petroleum refining(2).
(1) Lucas SA; GC/MS Analysis of Organics in Drinking Water Concentrates and Advanced Waste Treatment Concentrates Vol 1. USEPA-600/1-84-020a, Health Effects Research Lab., Office of Res. Dev. Research Triangle Park, NC p. 215 (1984)
(2) Abrams EF et al; Identification of Organic Compounds in Effluents from Industrial Sources, USEPA-560/3-75-002, Off Toxic Sub, NTIS PB-241641, Springfield, VA (1975)

12.2.14 Atmospheric Concentrations

n-Pentyl alcohol was identified, not quantified, in air over the southern Black Forest in southwestern Germany(1). It was also identified, not quantified, in indoor air of schools in Stockholm, Sweden(2). n-Pentyl alcohol was identified, not quantified, in 81% of the samples obtained from the air in 26 homes located in Finland(3).
(1) Juttner F; Chemosphere 15: 985-92 (1986)
(2) Noma E et al; Atmos Environ 22: 451-60 (1988)
(3) Kostiainen R; Atmos Environ 29: 693-702 (1995)

12.2.15 Food Survey Values

n-Pentyl alcohol has been detected in volatile components of nectarine(1), fried bacon(3) and roasted filberts(4), Chickpea (Cocer arietimum)(5), kiwi fruit flower(7), Japanese apples(8), Cassava products(10) and Dalieb (Borassus aethiopum), an edible fruit of deciduous palm grown in Sudan(9). Unspecified isomer(s) of pentyl alcohol were detected in volatile components of fried chicken(6). n-Pentyl alcohol was detected at a mean concn 0.008 mg/kg in dry beans, at 0.019 mg/kg in dry split peas and at 0.095 mg/kg in dry lentils(2). n-Pentyl alcohol was detected at concns of 454-1267 ug/kg in commercial soybean curds(11). n-Pentyl alcohol was identified, not quantified, in blue cheese(12).
(1) Takeoka GR et al; J Agric Food Chem 36: 553-60 (1988)
(2) Lovegren NV et al; J Agric Food Chem 27: 851-53 (1979)
(3) Ho C-T et al; J Agric Food Chem 31: 336-42 (1983)
(4) Kinlin TE et al; J Agric Food Chem 20: 1021-28 (1972)
(5) Rembold H et al; J Agric Food Chem 37: 659-62 (1989)
(6) Tang J et al; J Agric Food Chem 31: 1287-92 (1983)
(7) Tatsuka K et al; J Agric Food Chem 38: 2176-80 (1990)
(8) Yajima I et al; Agric Biol Chem 48: 849-55 (1984)
(9) Harper DB et al; J Sci Food Agric 37: 685-88 (1986)
(10) Dougan J et al; J Sci Food Agric 34: 874-84 (1983)
(11) Chung HY; J Agric Food Chem 47: 2690-2697 (1999)
(12) Day EA, Anderson DF; J Agric Food Chem 13: 2-4 (1965)

12.2.16 Milk Concentrations

n-Pentyl alcohol was found in 4 of 12 mother's milk collected from NJ, PA and LA(1).
(1) Pellizzari ED et al; Bull Environ Contam Toxicol 28: 322-28 (1982)

12.2.17 Other Environmental Concentrations

Unspecified isomer(s) of pentyl alcohol was detected in the concentration range of 0.184 to 0.768 mg/kg (manure) in the volatile components of poultry manure(1).
(1) Yasuhara A; J Chromatogr 387: 371-78 (1987)

12.2.18 Probable Routes of Human Exposure

NIOSH (NOES Survey 1983) has statistically estimated that 23,189 (10,188 of these are female) workers are potentially exposed to n-pentyl alcohol in the US(1). Occupational exposure to n-pentyl alcohol may occur through inhalation and dermal contact with this compound at workplaces where n-pentyl alcohol is produced or used(SRC). Monitoring data indicate that the general population may be exposed to n-pentyl alcohol via inhalation of ambient air, ingestion of food and drinking water(SRC).
(1) NIOSH; National Occupational Exposure Survey (NOES), NIOSH, Cincinnati, OH (1989)

12.2.19 Body Burden

n-Pentyl alcohol was detected in the expired air in 4 of 8 male subjects (smoking and nonsmoking) at a concn range 0.007-0.60 ug/hr(1). It was also detected in the expired air of non-smoking healthy subjects(2) and the mean concn was 0.505 ng/L in 54 subjects with a percent occurrence of 22%(3). n-Pentyl alcohol was found in 4 of 12 mother's milk collected from NJ, PA and LA(4). It was also detected in 29 of 46 adipose tissues collected during the 1982 National Human Adipose Tissue Survey(5).
(1) Conkle JP et al; Arch Environ Health 30: 290-95 (1975)
(2) Krotoszynski B et al; J Chromatogr Sci 15: 239-44 (1977)
(3) Krotoszynski BK et al; J Anal Toxicol 3: 225-34 (1979)
(4) Pellizzari ED et al; Bull Environ Contam Toxicol 28: 322-28 (1982)
(5) Onstot JD et al; Characterization of HRGC/MS Unidentified Peaks from the Broad Scan Analysis of the FY82 NHATS Composites. Vol I, MRI Project No. 8823-AO1, Off Pest Toxic Sub, USEPA, Washington DC (1987)

13 Associated Disorders and Diseases

Associated Occupational Diseases with Exposure to the Compound
Solvents, acute toxic effect [Category: Acute Poisoning]
Disease
Pervasive developmental disorder not otherwise specified
References
PubMed: 24130822
Disease
Nonalcoholic fatty liver disease
References
PubMed: 23454028

14 Literature

14.1 Consolidated References

14.2 NLM Curated PubMed Citations

14.3 Springer Nature References

14.4 Thieme References

14.5 Wiley References

14.6 Chemical Co-Occurrences in Literature

14.7 Chemical-Gene Co-Occurrences in Literature

14.8 Chemical-Disease Co-Occurrences in Literature

15 Patents

15.1 Depositor-Supplied Patent Identifiers

15.2 WIPO PATENTSCOPE

15.3 Chemical Co-Occurrences in Patents

15.4 Chemical-Disease Co-Occurrences in Patents

15.5 Chemical-Gene Co-Occurrences in Patents

16 Interactions and Pathways

16.1 Protein Bound 3D Structures

16.1.1 Ligands from Protein Bound 3D Structures

PDBe Ligand Code
PDBe Structure Code
PDBe Conformer

16.2 Chemical-Target Interactions

17 Biological Test Results

17.1 BioAssay Results

18 Taxonomy

The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106

19 Classification

19.1 MeSH Tree

19.2 ChEBI Ontology

19.3 LIPID MAPS Classification

19.4 KEGG: Lipid

19.5 ChemIDplus

19.6 CAMEO Chemicals

19.7 UN GHS Classification

19.8 EPA CPDat Classification

19.9 NORMAN Suspect List Exchange Classification

19.10 EPA DSSTox Classification

19.11 Consumer Product Information Database Classification

19.12 EPA TSCA and CDR Classification

19.13 LOTUS Tree

19.14 EPA Substance Registry Services Tree

19.15 MolGenie Organic Chemistry Ontology

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CONTENTS