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Sucrose

PubChem CID
5988
Structure
Sucrose_small.png
Sucrose_3D_Structure.png
Sucrose__Crystal_Structure.png
Molecular Formula
Synonyms
  • sucrose
  • 57-50-1
  • saccharose
  • sugar
  • Table sugar
Molecular Weight
342.30 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2004-09-16
  • Modify:
    2025-01-11
Description
Sucrose appears as white odorless crystalline or powdery solid. Denser than water.
Sucrose is a glycosyl glycoside formed by glucose and fructose units joined by an acetal oxygen bridge from hemiacetal of glucose to the hemiketal of the fructose. It has a role as an osmolyte, a sweetening agent, a human metabolite, an algal metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite.
A nonreducing disaccharide composed of glucose and fructose linked via their anomeric carbons. It is obtained commercially from sugarcane, sugar beet (beta vulgaris), and other plants and used extensively as a food and a sweetener.
See also: Phosphoric acid; sucrose (component of); Sucrose caramel (has subclass); Agave americana stem; sucrose (component of) ... View More ...

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Sucrose.png

1.2 3D Conformer

1.3 Crystal Structures

1 of 32
View All
CCDC Number
Crystal Structure Data
Crystal Structure Depiction
Crystal Structure Depiction

2 Biologic Description

SVG Image
SVG Image
IUPAC Condensed
Glc(a1-2b)Fruf
LINUCS
[][a-D-Glcp]{}
IUPAC
beta-D-arabino-hex-2-ulofuranosyl alpha-D-gluco-hexopyranoside

3 Names and Identifiers

3.1 Computed Descriptors

3.1.1 IUPAC Name

(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

3.1.2 InChI

InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

3.1.3 InChIKey

CZMRCDWAGMRECN-UGDNZRGBSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

3.1.4 SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

3.2 Molecular Formula

C12H22O11
Computed by PubChem 2.2 (PubChem release 2021.10.14)
C12H22O11

3.3 Other Identifiers

3.3.1 CAS

57-50-1
92004-84-7

3.3.3 Deprecated CAS

100405-08-1, 104242-10-6, 1159795-78-4, 1192061-43-0, 12040-73-2, 1206156-82-2, 131932-12-2, 146054-35-5, 146187-04-4, 1481578-88-4, 151756-02-4, 1566560-95-9, 2169316-40-7, 220376-22-7, 29253-78-9, 29764-06-5, 30027-72-6, 47167-52-2, 47185-09-1, 47257-91-0, 50857-68-6, 51909-69-4, 635681-90-2, 64533-66-0, 65545-99-5, 75398-84-4, 76056-38-7, 78654-77-0, 786702-63-4, 80165-03-3, 8027-47-2, 8030-20-4, 85456-51-5, 86101-30-6, 87430-66-8, 880257-62-5, 92004-84-7
100405-08-1, 104242-10-6, 1159795-78-4, 12040-73-2, 1206156-82-2, 131932-12-2, 146054-35-5, 146187-04-4, 151756-02-4, 220376-22-7, 29253-78-9, 29764-06-5, 30027-72-6, 47167-52-2, 47185-09-1, 47257-91-0, 50857-68-6, 51909-69-4, 635681-90-2, 64533-66-0, 65545-99-5, 75398-84-4, 76056-38-7, 78654-77-0, 786702-63-4, 80165-03-3, 8027-47-2, 8030-20-4, 85456-51-5, 86101-30-6, 87430-66-8, 880257-62-5, 92004-84-7

3.3.4 European Community (EC) Number

3.3.5 UNII

3.3.6 ChEBI ID

3.3.7 ChEMBL ID

3.3.8 DrugBank ID

3.3.9 DSSTox Substance ID

3.3.10 HMDB ID

3.3.11 ICSC Number

3.3.12 KEGG ID

3.3.13 Metabolomics Workbench ID

3.3.14 NCI Thesaurus Code

3.3.15 Nikkaji Number

3.3.16 PharmGKB ID

3.3.17 RTECS Number

3.3.18 RXCUI

3.3.19 Wikidata

3.3.20 Wikipedia

3.4 Synonyms

3.4.1 MeSH Entry Terms

  • Saccharose
  • Sucrose

3.4.2 Depositor-Supplied Synonyms

4 Chemical and Physical Properties

4.1 Computed Properties

Property Name
Molecular Weight
Property Value
342.30 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
-3.7
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
11
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
342.11621151 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
342.11621151 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
190 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
23
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
395
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
9
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)

4.2 Experimental Properties

4.2.1 Physical Description

Sucrose appears as white odorless crystalline or powdery solid. Denser than water.
Water or Solvent Wet Solid; Other Solid
Hard, white, odorless crystals, lumps, or powder. [Note: May have a characteristic, caramel odor when heated.]; [NIOSH]
Solid
WHITE SOLID IN VARIOUS FORMS.
Hard, white, odorless crystals, lumps, or powder.
Hard, white, odorless crystals, lumps, or powder. [Note: May have a characteristic, caramel odor when heated.]

4.2.2 Color / Form

Monoclinic sphenoidal crystals, crystalline masses, blocks, or powder
Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1517
Hard, white ... crystals, lumps, or powder ...
NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 288

4.2.3 Odor

Characteristic caramel
Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1518
... Odorless ... [Note: May have a characteristic caramel odor when heated].
NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 288

4.2.4 Taste

Sweet
Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1517

4.2.5 Boiling Point

Decomposes (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.
decomposes

4.2.6 Melting Point

320 to 367 °F (decomposes) (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.
185.5 °C
PhysProp
185.5 °C
Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-172
320-367 °F (decomposes)

4.2.7 Solubility

greater than or equal to 100 mg/mL at 66 °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.
2100000 mg/L (at 25 °C)
YALKOWSKY,SH & DANNENFELSER,RM (1992)
1 g dissolves in 0.5 ml water, 170 ml alcohol, about 100 ml methanol. Moderately sol in glycerol, pyridine.
Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1518
Very soluble in water, methanol; slightly soluble in ethanol; insoluble in ethyl ether.
Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-172
water solubility = 2.12X10+6 mg/l @ 25 °C
Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth Ed, Tucson, AZ: Univ Az, College of Pharmacy (1992)
2100.0 mg/mL
Solubility in water, g/100ml at 25 °C: 200
200%

4.2.8 Density

1.59 at 68 °F (USCG, 1999) - Denser than water; will sink
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.
1.5805 g/cu cm @ 17 °C
Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-172
1.6 g/cm³
1.59

4.2.9 Vapor Pressure

0 mmHg (approx) (NIOSH, 2024)
0 mmHg (approx)

4.2.10 LogP

-3.7
HANSCH,C ET AL. (1995)
log Kow = -3.70
Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 107
-3.70
HANSCH,C ET AL. (1995)
-3.67

4.2.11 Stability / Shelf Life

STABLE IN AIR
The Merck Index. 9th ed. Rahway, New Jersey: Merck & Co., Inc., 1976., p. 1149

4.2.12 Decomposition

When heated to decomposition it emits acrid smoke and fumes.
Sax, N.I. Dangerous Properties of Industrial Materials. 6th ed. New York, NY: Van Nostrand Reinhold, 1984., p. 2478
186 °C

4.2.13 Heat of Combustion

-1.35X10+6 cal/mol
Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V21 867

4.2.14 pH

Soln are neutral to litmus
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 1057

4.2.15 Surface Tension

71-75 mN/m @ 1-0.6 mol/l
Gerhartz, W. (exec ed.). Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.Vol A1: Deerfield Beach, FL: VCH Publishers, 1985 to Present., p. VB1 (90) 6-54

4.2.16 Refractive Index

INDEX OF REFRACTION: 1.5376; SADTLER REFERENCE NUMBER: 8659 (IR, PRISM), 563 (IR, GRATING); SPECIFIC OPTICAL ROTATION: +66.37 @ 20 °C/D (WATER)
Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-503

4.2.17 Caco2 Permeability

-5.77
ADME Research, USCD

4.2.18 Dissociation Constants

pKa
12.6
MERCK INDEX (1996)
pKa= 12.62
Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1518

4.2.19 Collision Cross Section

170 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]

173.9 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

175.4 Ų [M+K]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

168.2 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

168.47 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

173.93 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]

174 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

173.9 Ų [M+Na]+

168.2 Ų [M-H]-

175.5 Ų [M+K]+

S50 | CCSCOMPEND | The Unified Collision Cross Section (CCS) Compendium | DOI:10.5281/zenodo.2658162

4.2.20 Other Experimental Properties

Decomp @ 160-186 °C; does not reduce Fehling's soln, form osazone, or show mutarotation; hydrolyzed to glucose and fructose by dil acids and by invertase, a yeast enzyme; upon hydrolysis optical rotation falls and is negative when hydrolysis is complete.
Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1518
Surface tension of aqueous solution (0.1-0.6 mol/l) = 71-75 mN/m
Gerhartz, W. (exec ed.). Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.Vol A1: Deerfield Beach, FL: VCH Publishers, 1985 to Present., p. VB1 6-54
Enthalpy of formation = 86 cal/mol-deg K
Gerhartz, W. (exec ed.). Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.Vol A1: Deerfield Beach, FL: VCH Publishers, 1985 to Present., p. V21 867

4.3 SpringerMaterials Properties

4.4 Chemical Classes

Biological Agents -> Disaccharides

4.4.1 Drugs

Pharmaceuticals -> Listed in ZINC15
S55 | ZINC15PHARMA | Pharmaceuticals from ZINC15 | DOI:10.5281/zenodo.3247749
4.4.1.1 Animal Drugs
Pharmaceuticals -> UK Veterinary Medicines Directorate List
S104 | UKVETMED | UK Veterinary Medicines Directorate's List | DOI:10.5281/zenodo.7802119

4.4.2 Cosmetics

Cosmetic ingredients (Sucrose) -> CIR (Cosmetic Ingredient Review)
Soothing; Skin conditioning; Humectant
S13 | EUCOSMETICS | Combined Inventory of Ingredients Employed in Cosmetic Products (2000) and Revised Inventory (2006) | DOI:10.5281/zenodo.2624118

4.4.3 Food Additives

NUTRITIVE SWEETENER -> FDA Substance added to food

4.4.4 Fragrances

Fragrance Ingredient (alpha-D-Glucopyranoside, beta-D-fructofuranosyl) -> IFRA transparency List

4.4.5 Pesticides

Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Approved

5 Spectral Information

5.1 1D NMR Spectra

1D NMR Spectra
NMR: 6242 (Sadtler Research Laboratories Spectral Collection)

5.1.1 1H NMR Spectra

1 of 5
View All
Spectra ID
Instrument Type
Varian
Frequency
500 MHz
Solvent
Water
pH
7.00
Shifts [ppm]:Intensity
3.67:100.00, 3.73:22.02, 3.56:24.20, 3.77:15.98, 3.88:13.36, 3.56:23.56, 3.85:5.07, 3.54:19.93, 3.54:19.67, 4.22:22.97, 3.90:7.79, 3.48:19.73, 4.06:15.18, 5.40:19.11, 3.81:84.56, 3.75:29.84, 3.81:93.51, 4.02:14.45, 3.84:12.88, 4.04:27.23, 4.20:28.93, 3.83:13.15, 3.87:9.80, 3.88:8.83, 3.86:10.19, 3.45:14.34, 3.46:32.94, 3.89:8.78, 3.88:13.29, 3.80:23.93, 3.87:8.15, 5.39:18.49
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Spectra ID
Instrument Type
JEOL
Frequency
400 MHz
Solvent
D2O
Shifts [ppm]:Intensity
3.90:84.00, 3.89:97.00, 3.80:55.00, 3.79:181.00, 3.82:854.00, 3.68:1000.00, 4.08:207.00, 3.45:136.00, 3.84:98.00, 3.56:183.00, 5.42:308.00, 3.54:187.00, 4.05:344.00, 3.76:267.00, 3.92:80.00, 3.83:862.00, 3.90:166.00, 3.85:140.00, 3.81:550.00, 3.91:96.00, 3.47:279.00, 4.03:198.00, 3.58:235.00, 3.87:138.00, 3.89:140.00, 3.88:135.00, 3.74:231.00, 3.50:200.00, 3.85:99.00, 4.21:506.00, 3.57:228.00, 4.23:391.00, 5.41:314.00, 3.86:149.00
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5.1.2 13C NMR Spectra

1 of 5
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Spectra ID
Instrument Type
Bruker
Frequency
125 MHz
Solvent
Water
pH
7.00
Shifts [ppm]:Intensity
71.98:20.85, 84.05:22.63, 73.80:22.62, 76.78:18.90, 0.00:1.45, 106.36:14.24, 94.85:21.82, 75.33:21.72, 75.10:22.60, 79.24:16.27, 64.14:14.09, 65.08:18.49, 62.89:15.61
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Spectra ID
Frequency
400 MHz
Solvent
H2O
Shifts [ppm]
106.36, 79.24, 75.33, 73.80, 71.98, 64.14, 62.89, 65.08, 94.85, 76.78, 84.05, 75.10
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5.2 2D NMR Spectra

5.2.1 1H-1H NMR Spectra

2D NMR Spectra Type
1H-1H TOCSY
Spectra ID
Shifts [ppm] (F2:F1)
3.88:4.22, 3.46:3.46, 5.40:3.84, 3.88:4.04, 4.21:3.81, 3.83:3.73, 3.81:3.90, 3.42:3.66, 3.75:3.75, 3.80:3.72, 5.40:3.53, 3.55:3.46, 3.81:3.81, 3.81:4.20, 3.89:3.77, 5.40:3.73, 3.81:4.22, 4.18:3.91, 4.20:3.87, 3.75:3.46, 3.88:3.87, 4.04:4.04, 3.94:3.66, 3.88:4.19, 3.54:3.66, 4.20:3.89, 3.55:3.47, 5.40:3.81, 4.04:3.81, 3.46:3.66, 3.81:4.02, 3.46:3.54, 3.74:3.66, 5.40:3.75, 4.06:4.01, 3.46:3.73, 3.61:3.66, 3.44:5.40, 4.20:4.04, 3.88:3.72, 3.88:4.06, 5.40:3.78, 5.40:3.56, 3.55:3.56, 3.88:4.02, 3.58:3.66, 3.75:3.55, 5.40:3.43, 3.75:3.84, 4.06:4.07, 3.71:3.72, 4.20:3.77, 3.90:3.66, 3.71:3.67, 3.52:3.66, 3.81:3.53, 4.03:4.01, 3.81:3.56, 3.81:3.85, 4.14:3.80, 4.04:3.88, 4.01:3.66, 5.40:3.48, 3.55:3.75, 3.46:3.85, 3.48:5.40, 3.81:3.88, 4.02:4.07, 3.67:3.67, 3.88:3.89, 3.50:3.49, 4.01:3.80, 3.46:3.81, 5.40:5.40, 3.46:3.43, 3.55:3.73, 3.75:3.43, 4.23:3.91, 4.04:4.20, 3.74:3.78, 3.46:3.75, 3.53:5.40, 3.30:3.66, 4.21:4.06, 3.82:4.04, 3.75:3.54, 4.20:4.19, 3.75:5.40, 3.81:3.43, 4.03:3.83, 3.75:3.49, 3.47:3.78, 4.78:4.78, 3.55:3.54, 3.56:5.40, 3.55:3.78, 3.98:3.98, 3.55:3.85, 3.55:3.81, 3.39:3.66, 3.81:3.48, 3.82:4.07, 3.83:5.40, 4.21:4.02, 3.81:3.46, 3.83:3.75, 4.20:4.22, 3.43:3.49, 3.72:3.80, 4.04:4.21
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5.2.2 1H-13C NMR Spectra

2D NMR Spectra Type
1H-13C HSQC
Spectra ID
Instrument Type
Bruker
Frequency
600 MHz
Solvent
Water
pH
7.00
Shifts [ppm] (F2:F1):Intensity
3.88:84.14:0.30, 3.47:71.97:0.17, 4.04:76.75:0.26, 3.66:64.07:1.00, 3.81:62.76:0.88, 3.81:65.05:0.79, 4.21:79.22:0.22, 5.40:94.80:0.68, 3.83:75.16:0.25, 3.74:75.30:0.16, 3.55:73.78:0.26
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5.3 Mass Spectrometry

5.3.1 GC-MS

1 of 14
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Spectra ID
Instrument Type
GC-EI-TOF
Ionization Mode
positive
Top 5 Peaks

103.0 100

147.0 88.29

217.0 61.76

129.0 56.46

169.0 42.64

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Notes
instrument=Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
2 of 14
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Spectra ID
Instrument Type
GC-EI-TOF
Ionization Mode
positive
Top 5 Peaks

147.0 100

103.0 94.79

217.0 91.39

361.0 86.29

129.0 66.87

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Notes
instrument=Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies

5.3.2 MS-MS

1 of 6
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Spectra ID
Ionization Mode
Negative
Top 5 Peaks

89.02496 100

119.0361 45.60

59.01422 29.10

71.01436 28.40

113.02558 16.60

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Spectra ID
Ionization Mode
Negative
Top 5 Peaks

341.11018 100

179.0559 42.90

89.02527 21.10

119.03527 17.20

161.04558 9.10

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5.3.3 LC-MS

1 of 4
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Authors
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
Instrument
UPLC Q-Tof Premier, Waters
Instrument Type
LC-ESI-QTOF
MS Level
MS2
Ionization Mode
NEGATIVE
Ionization
ESI
Collision Energy
Ramp 5-60 V
Fragmentation Mode
LOW-ENERGY CID
Precursor m/z
341.10841
Precursor Adduct
[M-H]-
Top 5 Peaks

341.1084 999

71.0149 800

89.0247 687

101.0245 569

179.0558 490

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License
CC BY-SA
2 of 4
View All
MoNA ID
MS Category
Experimental
MS Type
LC-MS
MS Level
MS2
Precursor Type
[M-H]-
Precursor m/z
341.10841
Instrument
UPLC Q-Tof Premier, Waters
Instrument Type
LC-ESI-QTOF
Ionization
ESI
Ionization Mode
negative
Collision Energy
Ramp 5-60 V
Top 5 Peaks

341.1084 100

71.0149 80.13

89.0247 68.78

101.0245 56.93

179.0558 49.04

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License
CC BY-SA

5.3.4 Other MS

1 of 4
View All
Other MS
MASS: 4955 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
2 of 4
View All
MoNA ID
MS Category
Experimental
MS Type
Other
MS Level
MS2
Precursor Type
[M-H]-
Precursor m/z
341.33
Instrument
TQD, Waters
Instrument Type
Flow-injection QqQ/MS
Ionization
ESI
Ionization Mode
negative
Collision Energy
10
Top 5 Peaks

341 100

340 14.34

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5.4 IR Spectra

IR Spectra
IR: 3335 (Coblentz Society Spectral Collection)

5.4.1 FTIR Spectra

1 of 2
Technique
KBr WAFER
Source of Sample
Merck & Company, Inc.
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
KBr-Pellet
Source of Sample
E. Merck AG, Darmstadt
Copyright
Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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5.4.2 ATR-IR Spectra

1 of 2
Instrument Name
Bio-Rad FTS
Technique
ATR-Neat (DuraSamplIR II)
Source of Spectrum
Forensic Spectral Research
Source of Sample
USB Biochemicals, Affymetrix, Inc.
Catalog Number
Ultrapure MB Grade
Lot Number
117034
Copyright
Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
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2 of 2
Source of Sample
Aldrich
Catalog Number
247618
Copyright
Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
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5.5 Raman Spectra

1 of 2
Instrument Name
Thermo Nicolet FT-Raman 960
Technique
FT-Raman
Copyright
Copyright © 2003-2024 John Wiley & Sons, Inc. All Rights Reserved.
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2 of 2
Instrument Name
Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Source of Spectrum
Zenodo
Copyright
Copyright © 2023-2024 John Wiley & Sons, Inc. All Rights Reserved.
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7 Chemical Vendors

8 Drug and Medication Information

8.1 Drug Indication

8.2 FDA National Drug Code Directory

8.3 Drug Labels

Active ingredient and drug
Homeopathic product and label
Homeopathic product and label

8.4 Clinical Trials

8.4.1 ClinicalTrials.gov

8.4.2 NIPH Clinical Trials Search of Japan

8.5 Therapeutic Uses

MEDICATION (VET): ITS ORAL USE IN ACETONEMIA OF CATTLE IS CONTROVERSIAL BUT STILL POPULAR. IT IS OFTEN USED ORALLY WITH VINEGAR...IN EMERGENCY TREATMENT OF ACUTE UREA TOXICITY IN CATTLE. DAILY ORAL USE CAN OCCASIONALLY REDUCE INCIDENCE OF BLOAT IN CATTLE ON SPRING PASTURE LOW IN CARBOHYDRATES.
Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 561
MEDICATION (VET): 20% ORAL SOLN CAUSE REFLEX CLOSURE OF ESOPHAGEAL GROOVE. ... SUGAR IS OCCASIONALLY USED...TO FACILITATE REDN OF EDEMA & EASE OF REPLACEMENT OF PROLAPSED UTERI IN COWS, EWES, BITCHES, ETC, & HAS BEEN USED LOCALLY ON WOUNDS, FOOT ROT, ETC BY LAYMEN & PROFESSIONALS.
Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 561
IV ADMIN OF HYPERTONIC SOLN OF SUCROSE HAS BEEN EMPLOYED CHIEFLY TO INITIATE OSMOTIC DIURESIS. SUCH PROCEDURE IS NOT COMPLETELY SAFE & RENAL TUBULAR DAMAGE MAY RESULT, PARTICULARLY IN PATIENTS WITH EXISTING RENAL PATHOLOGY. SAFER & MORE EFFECTIVE DIURETICS ARE AVAILABLE. /FORMER USE/
Osol, A. and J.E. Hoover, et al. (eds.). Remington's Pharmaceutical Sciences. 15th ed. Easton, Pennsylvania: Mack Publishing Co., 1975., p. 1235

8.6 Drug Warnings

VET: ORAL ADMIN TO YOUNG ANIMALS UNABLE TO DIGEST IT WILL CAUSE OR ACCENT DIARRHEAS.
Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 562

8.7 Reported Fatal Dose

1. 1= PRACTICALLY NONTOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) ABOVE 15 G/KG, MORE THAN 1 QUART (2.2 LB) FOR 70 KG PERSON (150 LB).
Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-151

9 Food Additives and Ingredients

9.1 FDA Substances Added to Food

9.2 Associated Foods

10 Agrochemical Information

10.1 Agrochemical Category

Pesticide active substances

10.2 EU Pesticides Data

Active Substance
sucrose
Status
Approved [Reg. (EC) No 1107/2009]
Legislation
Reg. (EU) No 916/2014

11 Pharmacology and Biochemistry

11.1 MeSH Pharmacological Classification

Sweetening Agents
Substances that sweeten food, beverages, medications, etc., such as sugar, saccharine or other low-calorie synthetic products. (From Random House Unabridged Dictionary, 2d ed) (See all compounds classified as Sweetening Agents.)

11.2 Human Metabolite Information

11.2.1 Tissue Locations

  • Adipose Tissue
  • Bladder
  • Epidermis
  • Fibroblasts
  • Intestine
  • Kidney
  • Neuron
  • Placenta
  • Platelet
  • Prostate
  • Skeletal Muscle
  • Spleen
  • Testis

11.2.2 Cellular Locations

Extracellular

11.2.3 Metabolite Pathways

11.3 Biochemical Reactions

12 Use and Manufacturing

12.1 Uses

Cosmetic Ingredient Review Link
CIR ingredient: Sucrose
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
Obtained from cane sugar, sugar beet, and sorghum; Used as a sweetener; [ChemIDplus]
For Sucrose (USEPA/OPP Pesticide Code: 000023) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./
U.S. Environmental Protection Agency/Office of Pesticide Program's Chemical Ingredients Database on Sucrose (57-50-1). Available from, as of Sept 8, 2000: https://npirspublic.ceris.purdue.edu/ppis/
FLAVOR BLENDER, ACCENTUATOR, MODIFIER & DISPERSING AGENT, SWEETENING, TEXTURE & BODYING AGENT FOR FOODS & BEVERAGES; RAW MATERIAL FOR NUMEROUS ORG CHEM & YEAST PRODN; LUBRICANT IN FOODS
SRI
Sweetener in foods and soft drinks, manufacture of syrups, source of invert sugar, confectionary, preserves and jams, demulcent, pharmaceutical products, caramel, chemical intermediate for detergents, emulsifying agents, and other sucrose derivatives.
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 1058
Sweetening agent and food. Starting material in fermentative prodn of ethanol, butanol, glycerol, citric and levulinic acids. Used in pharmaceuticals as a flavor, as a preservative, as antioxidant (in form of invert sugar), as demulcent, as substitute for glycerol, as granulation agent and excipient for tablets, as coating for tablets. In plastics and cellulose industry, in rigid polyurethane foams, manuf of ink and of transparent soaps.
Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1518
For more Uses (Complete) data for SUCROSE (9 total), please visit the HSDB record page.

12.1.1 Use Classification

EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives
Safer Chemical Classes -> Green circle Green circle - The chemical has been verified to be of low concern
Fragrance Ingredients
Cosmetics -> Soothing; Skin conditioning; Humectant
S13 | EUCOSMETICS | Combined Inventory of Ingredients Employed in Cosmetic Products (2000) and Revised Inventory (2006) | DOI:10.5281/zenodo.2624118

12.1.2 Industry Uses

Laboratory chemicals

12.1.3 Household Products

Household & Commercial/Institutional Products

Information on 74 consumer products that contain Sucrose in the following categories is provided:

• Inside the Home

• Personal Care

• Pesticides

• Pet Care

12.2 Methods of Manufacturing

Obtained from sugar cane (Saccharum officinarum L, Gramineae) and sugar beet (Beta valgaris L, Chenopodiaceae). Sugar cane contains from 15-20% and sugar beet form 10-17% sucrose. Structure: Avery et al, J Chem Soc 1927, 2308; Beevers, Cochrane, Proc Roy Soc 190a, 257 (1947).
Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1518
By crushing and extraction of sugarcane (Saccharum officinarum) with water or extraction of the sugar beet (Beta vulgaris) with water, evaporating, and purifying with lime, carbon, and various liquids. Also obtainable from sorghum by conventional methods.
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 1057
Sucrose is extracted commercially from sugar maple
KIRK-OTHMER CONDENSED ENCYC CHEM TECH 1985 p.1118

12.3 Formulations / Preparations

USEPA/OPP Pesticide Code 000023; Trade Names: None.
U.S. Environmental Protection Agency/Office of Pesticide Program's Chemical Ingredients Database on Sucrose (57-50-1). Available from, as of Sept 8, 2000: https://npirspublic.ceris.purdue.edu/ppis/
Grade: Reagent, USP, technical, refined.
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 1057
Also sold as syrup .. liquid sugar
Gerhartz, W. (exec ed.). Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.Vol A1: Deerfield Beach, FL: VCH Publishers, 1985 to Present., p. VA4 (85) 65

12.4 Consumption Patterns

(DELIVERIES OF REFINED SUGAR): 35% WAS CONSUMED DIRECTLY FOR SWEETENING FOODS & BEVERAGES; THE REMAINING 65% WAS USED INDUSTRIALLY IN BEVERAGES (22%); IN BAKERY & CEREAL PRODUCTS (12%); IN CONFECTIONS (9%); IN CANNED, BOTTLED, & FROZEN FOODS (6%); IN ICE CREAM & DAIRY PRODUCTS (5%); IN MISC FOODS (5%); & IN NON-FOOD & UNSPECIFIED USES (6%) (1976)
SRI

12.5 U.S. Production

Aggregated Product Volume

2019: 1,000,000 - <10,000,000 lb

2018: 1,000,000 - <10,000,000 lb

2017: 1,000,000 - <10,000,000 lb

2016: 1,000,000 - <10,000,000 lb

(1972) 5.01X10+13 G (CANE & BEET SUGAR)
SRI
(1975) 5.19X10+13 G (CANE AND BEET SUGAR)
SRI

12.6 U.S. Imports

(1972) 4.77X10+12 G (CANE/BEET SUGAR & SYRUP)
SRI
(1975) 3.62X10+12 G
SRI
(1984) 3.28X10+12 g /Cane or beet sugars, syrups, molasses, NSPF (Raw Value)/
BUREAU OF THE CENSUS. U.S. IMPORTS FOR CONSUMPTION AND GENERAL IMPORTS 1984 p.1-41

12.7 U.S. Exports

(1972) 7.06X10+8 G (CANE/BEET, RAW & REFINED)
SRI
(1975) 1.87X10+11 G
SRI
(1984) 2.79X10+10 g /Sugar cane, beet, crystalline structure or dry amorphous form, refined/
BUREAU OF THE CENSUS. U.S. EXPORTS, SCHEDULE E, 1984 p.2-25

12.8 General Manufacturing Information

Industry Processing Sectors
All Other Chemical Product and Preparation Manufacturing
EPA TSCA Commercial Activity Status
.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl: ACTIVE
CARBOHYDRATE (QV) PRODUCT OF PHOTOSYNTHESIS COMPRISED OF 1, 2, OR MORE SACCHAROSE GROUPS. ... SUGAR IS IMPORTANT SOURCE OF METABOLIC ENERGY IN FOODS, & ITS FORMATION IN PLANTS IS ESSENTIAL FACTOR IN LIFE PROCESS.
Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 823
Sucrose is the most important industrial sugar
KIRK-OTHMER CONDENSED ENCYC CHEM TECH 1985 p.202
Sucrose was first synthesized enzymatically in the laboratory from potassium D-glucosyl-1-phosphate and D-fructose. The first chemical synthesis was accomplished by reaction of 3,4,6-tri-O-acetyl-1,2-anhydro-alpha-D-glucopyranose with 1,3,4,6-tetra-O-acetyl-D-fructofuranose
Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V21 865
Traditionally, the standard /sweetening agent/ is sucrose, both in terms of quality of taste and taste profile
Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V22 448
For more General Manufacturing Information (Complete) data for SUCROSE (6 total), please visit the HSDB record page.

13 Identification

13.1 Analytic Laboratory Methods

SUGARS & SUGAR PRODUCTS BY POLARIMETRIC METHODS.
Association of Official Analytical Chemists. Official Methods of Analysis. 10th ed. and supplements. Washington, DC: Association of Official Analytical Chemists, 1965. New editions through 13th ed. plus supplements, 1982., p. 12/567 31.020
DETERMINATION IN FOODSTUFF BY SPECTROPHOTMETRY @ 340, 334, OR 365 NM.
Bergmeyer, H.W. (ed.). Methods of Enzymatic Analysis. 2nd English ed. New York City: Academic Press, 1974., p. 1176

14 Safety and Hazards

14.1 Hazards Identification

14.1.1 GHS Classification

Note
This chemical does not meet GHS hazard criteria for 95.8% (437 of 456) of all reports. Pictograms displayed are for 4.2% (19 of 456) of reports that indicate hazard statements.
GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 437 of 456 companies (only 4.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

ECHA C&L Notifications Summary

Aggregated GHS information provided per 456 reports by companies from 8 notifications to the ECHA C&L Inventory.

Reported as not meeting GHS hazard criteria per 437 of 456 reports by companies. For more detailed information, please visit ECHA C&L website.

There are 6 notifications provided by 19 of 456 reports by companies with hazard statement code(s).

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.

14.1.2 Hazard Classes and Categories

Not Classified

14.1.3 EPA Safer Chemical

Chemical: Sucrose

Green circle Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.

14.1.4 Health Hazards

None (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.

14.1.5 Fire Hazards

Special Hazards of Combustion Products: Irritating fumes may form in fires.

Behavior in Fire: Melts and chars (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.
Combustible. Finely dispersed particles form explosive mixtures in air.

14.1.6 Hazards Summary

May cause mechanical irritation.; [ICSC]

14.2 Safety and Hazard Properties

14.2.1 Flammable Limits

Flammability
Noncombustible Solid, but fine airborne dust may explode.

14.2.2 Lower Explosive Limit (LEL)

0.045 g/L (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.
0.045 g/L

14.2.3 Physical Dangers

Dust explosion possible if in powder or granular form, mixed with air.

14.2.4 OSHA Standards

Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 15 mg/cu m. /Total dust/
29 CFR 1910.1000 (7/1/2000)
Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 5 mg/cu m. /Respirable fraction/
29 CFR 1910.1000 (7/1/2000)

14.2.5 NIOSH Recommendations

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 10 mg/cu m (total).
NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 288
Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 5 mg/cu m (resp).
NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 288

14.3 First Aid Measures

Inhalation First Aid
Fresh air, rest.
Skin First Aid
Rinse skin with plenty of water or shower.
Eye First Aid
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

14.3.1 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. If symptoms (such as redness or irritation) develop, immediately transport the victim to a hospital.

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.

(See general first aid procedures)

Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.

Breathing: Fresh air

14.4 Fire Fighting

Fire Extinguishing Agents: Water (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.
Use water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

14.4.1 Fire Fighting Procedures

Water
U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.

14.4.2 Firefighting Hazards

Irritating fumes may form in fires.
U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.

14.5 Accidental Release Measures

14.5.1 Spillage Disposal

Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.

14.5.2 Disposal Methods

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

14.6 Handling and Storage

14.6.1 Nonfire Spill Response

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

STORAGE PRECAUTIONS: You should store this material under ambient temperatures. (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.

14.6.2 Safe Storage

Separated from strong oxidants.

14.7 Exposure Control and Personal Protection

14.7.2 Permissible Exposure Limit (PEL)

15.0 [mg/m3](total dust), 5 mg/m3(respirable fraction)
PEL-TWA (8-Hour Time Weighted Average)
15 mg/m³ (total dust), 5 mg/m³ (respirable fraction)
TWA 15 mg/m3 (total) TWA 5 mg/m3 (resp)

14.7.3 Immediately Dangerous to Life or Health (IDLH)

N.D.

See: IDLH INDEX

14.7.4 Threshold Limit Values (TLV)

10.0 [mg/m3]
8 hr Time Weighted Avg (TWA): 10 mg/cu m
American Conference of Governmental Industrial Hygienists TLVs and BEIs. Threshold Limit Values for Chemical Substances and Physical Agents and Biological Exposure Indices. Cincinnati, OH, 2008, p. 53
Excursion Limit Recommendation: Excursions in worker exposure levels may exceed 3 times the TLV-TWA for no more than a total of 30 minutes during a work day, and under no circumstances should they exceed 5 times the TLV-TWA, provided that the TLV-TWA is not exceeded.
American Conference of Governmental Industrial Hygienists TLVs and BEIs. Threshold Limit Values for Chemical Substances and Physical Agents and Biological Exposure Indices. Cincinnati, OH, 2008, p. 5
A4: Not classifiable as a human carcinogen.
American Conference of Governmental Industrial Hygienists TLVs and BEIs. Threshold Limit Values for Chemical Substances and Physical Agents and Biological Exposure Indices. Cincinnati, OH, 2008, p. 53
10 mg/m
TLV-TWA (Time Weighted Average)
10 mg/m³ [1992]

14.7.5 Effects of Short Term Exposure

May cause mechanical irritation.

14.7.6 Effects of Long Term Exposure

The substance may have effects on the teeth. This may result in dental caries. Repeated or prolonged contact with skin may cause dermatitis.

14.7.7 Allowable Tolerances

Residues of sucrose are exempted from the requirement of a tolerance when used as a solid diluent, carrier or safener in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.
40 CFR 180.1001(c) (7/1/2000)
Sucrose is exempted from the requirement of a tolerance when used as a solid diluent or carrier in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals.
40 CFR 180.1001(e) (7/1/2000)

14.7.8 Personal Protective Equipment (PPE)

Excerpt from NIOSH Pocket Guide for Sucrose:

Skin: No recommendation is made specifying the need for personal protective equipment for the body.

Eyes: No recommendation is made specifying the need for eye protection.

Wash skin: No recommendation is made specifying the need for washing the substance from the skin (either immediately or at the end of the work shift).

Remove: No recommendation is made specifying the need for removing clothing that becomes wet or contaminated.

Change: No recommendation is made specifying the need for the worker to change clothing after the workshift. (NIOSH, 2024)

/NIOSH approved respirator/ and goggles or face shield.
U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.

(See personal protection and sanitation codes)

Skin: No recommendation

Eyes: No recommendation

Wash skin: No recommendation

Remove: No recommendation

Change: No recommendation

14.7.9 Respirator Recommendations

14.7.10 Preventions

Fire Prevention
NO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust.
Inhalation Prevention
Use local exhaust or breathing protection.
Skin Prevention
Protective gloves.
Eye Prevention
Wear safety goggles.

14.8 Stability and Reactivity

14.8.1 Air and Water Reactions

Water soluble. Sugar dust explosion is possibility.

14.8.2 Reactive Group

Alcohols and Polyols

14.8.3 Reactivity Profile

SUCROSE is a reducing agent. Can react explosively with oxidizing agents such as chlorates and perchlorates. Is hydrolyzed by dilute acids and by invertase (a yeast enzyme) (NTP, 1992). Chars rapidly and exothermically when mixed with concentrated sulfuric acid.
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.

14.8.4 Hazardous Reactivities and Incompatibilities

NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 288

14.9 Regulatory Information

The Australian Inventory of Industrial Chemicals
Chemical: .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl
Status Regulation (EC)
Reg. (EU) No 916/2014
New Zealand EPA Inventory of Chemical Status
Sucrose: Does not have an individual approval but may be used under an appropriate group standard

14.9.1 FIFRA Requirements

Residues of sucrose are exempted from the requirement of a tolerance when used as a solid diluent, carrier or safener in accordance with good agricultural practices as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.
40 CFR 180.1001(c) (7/1/2000)
Sucrose is exempted from the requirement of a tolerance when used as a solid diluent or carrier in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals.
40 CFR 180.1001(e) (7/1/2000)

14.9.2 FDA Requirements

Substance added directly to human food affirmed as generally recognized as safe (GRAS).
21 CFR 184.1854 (4/1/2000)

14.10 Other Safety Information

Chemical Assessment

IMAP assessments - .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl: Human health tier I assessment

Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

14.10.1 Special Reports

INFORMATICS INC; SCIENTIFIC LITERATURE REVIEWS ON GENERALLY RECOGNIZED AS SAFE (GRAS) FOOD INGREDIENTS: SUCROSE; US NTIS PB REPORT PB-228 548, 202 PP. (1973). LITERATURE REVIEW OF SUCROSE AND ITS USE IN FOOD PRODUCTS.

15 Toxicity

15.1 Toxicological Information

15.1.1 NIOSH Toxicity Data

15.1.2 Evidence for Carcinogenicity

A4: Not classifiable as a human carcinogen.
American Conference of Governmental Industrial Hygienists TLVs and BEIs. Threshold Limit Values for Chemical Substances and Physical Agents and Biological Exposure Indices. Cincinnati, OH, 2008, p. 53

15.1.3 Exposure Routes

The substance can be absorbed into the body by inhalation and by ingestion.
inhalation, skin and/or eye contact

15.1.4 Symptoms

Inhalation Exposure
Cough.
Skin Exposure
Redness. Roughness.
Eye Exposure
Redness.
irritation eyes, skin, upper respiratory system; cough

15.1.5 Target Organs

Eyes, respiratory system

15.1.6 Adverse Effects

ACGIH Carcinogen - Not Classifiable.

15.1.7 Acute Effects

15.1.8 Human Toxicity Excerpts

Liquid medicines, particularly those intended for children, often formulated as syrups, usually based on sucrose. Total sugar content may be up to 80% (w/v). Complicated diabetes management. Increased dental caries especially in chronically sick children (eg, asthmatics or epileptics) who frequently take liquid medicine.
Ellenhorn, M.J. and D.G. Barceloux. Medical Toxicology - Diagnosis and Treatment of Human Poisoning. New York, NY: Elsevier Science Publishing Co., Inc. 1988., p. 527
Sucrose is reported to be capable of producing dermatoses in bakers, candy makers, and related occupations. It is well established that uncontrolled glucose conc in maternal blood are associated with elevated embryonic and fetal death and increased neonatal morbidity and mortality.
American Conference of Governmental Industrial Hygienists, Inc. Documentation of the Threshold Limit Values and Biological Exposure Indices. 6th ed. Volumes I, II, III. Cincinnati, OH: ACGIH, 1991., p. 1450

15.1.9 Non-Human Toxicity Excerpts

EVIDENCE EXISTS THAT HIGHLY CONCN SOLN ARE LETHAL TO NEMATODES IN SOIL.
Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 562
DIFFUSE PATHOLOGICAL CHANGES /IN POISONED ANIMALS/ INCL SHRINKAGE, SWELLING & NECROSIS OF RENAL TUBULAR EPITHELIUM, ARTERIOLITIS, MILD HEPATITIS, MYOCARDITIS, CONGESTIVE ENCEPHALITIS & SOME ADRENAL HYPERTROPHY.
Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984., p. II-227
SUCROSE HAS SHOWN NO TOXICITY TO CORNEAS OF RABBITS WHEN APPLIED FOR 3 TO 7 HR IN NEUTRAL AQ SOLN...
Grant, W. M. Toxicology of the Eye. 2nd ed. Springfield, Illinois: Charles C. Thomas, 1974., p. 949
...CANE SUGAR...OBSERVED TO CAUSE DIARRHEA, COLIC, INFLAMMATION OF KIDNEYS &...PETECHIAL HEMORRHAGES IN SPINAL DURA MATER OF HORSES.
Clarke, E.G., and M. L. Clarke. Veterinary Toxicology. Baltimore, Maryland: The Williams and Wilkins Company, 1975., p. 284
For more Non-Human Toxicity Excerpts (Complete) data for SUCROSE (14 total), please visit the HSDB record page.

15.1.10 Non-Human Toxicity Values

LD50 Rat oral 29,700 mg/kg
Sax, N.I. Dangerous Properties of Industrial Materials. 6th ed. New York, NY: Van Nostrand Reinhold, 1984., p. 2478

15.1.11 Populations at Special Risk

Patients with severe malabsorption secondary to disease or resection ... may have deficiency of other disaccharidases and large amounts of sucrose should be avoided /in enteral formulations/.
American Medical Association, Council on Drugs. AMA Drug Evaluations Annual 1994. Chicago, IL: American Medical Association, 1994., p. 2195

15.2 Ecological Information

15.2.1 Natural Pollution Sources

Occurs in low percentages in honey and maple sap
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 1057
Sugar cane contains from 15-20% and sugar beet from 10-17% sucrose
Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1517
The quantity of sucrose synthesized by all plants on earth is estimated to be 150X10+9 t/a.
Gerhartz, W. (exec ed.). Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.Vol A1: Deerfield Beach, FL: VCH Publishers, 1985 to Present., p. VA 5 (86) 83

16 Associated Disorders and Diseases

Disease
Colorectal cancer
References

PubMed: 7482520, 19006102, 23940645, 24424155, 20156336, 19678709, 22148915, 25105552, 21773981, 25037050, 27015276, 27107423, 27275383, 28587349

Silke Matysik, Caroline Ivanne Le Roy, Gerhard Liebisch, Sandrine Paule Claus. Metabolomics of fecal samples: A practical consideration. Trends in Food Science & Technology. Vol. 57, Part B, Nov. 2016, p.244-255: http://www.sciencedirect.com/science/article/pii/S0924224416301984

Disease
Sepsis
References
Disease
Attachment loss
References
PubMed: 31026179
Disease
Periodontal Probing Depth
References
PubMed: 31026179
Disease
Lung Cancer
References
Disease
Autosomal dominant polycystic kidney disease
References
Disease
Eosinophilic esophagitis
References
Mordechai, Hien, and David S. Wishart

17 Literature

17.1 Consolidated References

17.2 NLM Curated PubMed Citations

17.3 Springer Nature References

17.4 Thieme References

17.5 Chemical Co-Occurrences in Literature

17.6 Chemical-Gene Co-Occurrences in Literature

17.7 Chemical-Disease Co-Occurrences in Literature

18 Patents

18.1 Depositor-Supplied Patent Identifiers

18.2 WIPO PATENTSCOPE

18.3 Chemical Co-Occurrences in Patents

18.4 Chemical-Disease Co-Occurrences in Patents

18.5 Chemical-Gene Co-Occurrences in Patents

19 Interactions and Pathways

19.1 Protein Bound 3D Structures

19.2 Chemical-Target Interactions

19.3 Pathways

20 Biological Test Results

20.1 BioAssay Results

21 Taxonomy

WormJam Metabolites Local CSV for MetFrag | DOI:10.5281/zenodo.3403364
WormJam: A consensus C. elegans Metabolic Reconstruction and Metabolomics Community and Workshop Series, Worm, 6:2, e1373939, DOI:10.1080/21624054.2017.1373939
Zebrafish Pathway Metabolite MetFrag Local CSV (Beta) | DOI:10.5281/zenodo.3457553
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
A metabolome atlas of the aging mouse brain. Nat Commun. 2021 Oct 15;12(1):6021. DOI:10.1038/s41467-021-26310-y. PMID:34654818; PMCID:PMC8519999.
The Metabolome Atlas of the Aging Mouse Brain: https://mouse.atlas.metabolomics.us
A metabolome atlas of the aging mouse brain. Nat Commun. 2021 Oct 15;12(1):6021. DOI:10.1038/s41467-021-26310-y. PMID:34654818; PMCID:PMC8519999.
The Metabolome Atlas of the Aging Mouse Brain: https://mouse.atlas.metabolomics.us
A metabolome atlas of the aging mouse brain. Nat Commun. 2021 Oct 15;12(1):6021. DOI:10.1038/s41467-021-26310-y. PMID:34654818; PMCID:PMC8519999.
The Metabolome Atlas of the Aging Mouse Brain: https://mouse.atlas.metabolomics.us

22 Classification

22.1 MeSH Tree

22.2 NCI Thesaurus Tree

22.3 ChEBI Ontology

22.4 KEGG: Metabolite

22.5 KEGG: Drug

22.6 KEGG: JP15

22.7 KEGG: Risk Category of Japanese OTC Drugs

22.8 EPA Safer Choice

22.9 ChemIDplus

22.10 CAMEO Chemicals

22.11 ChEMBL Target Tree

22.12 UN GHS Classification

22.13 EPA CPDat Classification

22.14 NORMAN Suspect List Exchange Classification

22.15 CCSBase Classification

22.16 EPA DSSTox Classification

22.17 Consumer Product Information Database Classification

22.18 EPA TSCA and CDR Classification

22.19 LOTUS Tree

22.20 EPA Substance Registry Services Tree

22.21 Glycan Naming and Subsumption Ontology (GNOme)

22.22 MolGenie Organic Chemistry Ontology

23 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
    .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl
    https://services.industrialchemicals.gov.au/search-assessments/
    .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl
    https://services.industrialchemicals.gov.au/search-inventory/
  2. CAMEO Chemicals
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    https://cameochemicals.noaa.gov/help/reference/terms_and_conditions.htm?d_f=false
    CAMEO Chemical Reactivity Classification
    https://cameochemicals.noaa.gov/browse/react
  3. CAS Common Chemistry
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    https://creativecommons.org/licenses/by-nc/4.0/
  4. ChemIDplus
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  5. DrugBank
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  6. EPA Chemical Data Reporting (CDR)
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    .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl
    https://www.epa.gov/chemical-data-reporting
  7. EPA Chemicals under the TSCA
    .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl
    https://www.epa.gov/chemicals-under-tsca
    EPA TSCA Classification
    https://www.epa.gov/tsca-inventory
  8. EPA DSSTox
    CompTox Chemicals Dashboard Chemical Lists
    https://comptox.epa.gov/dashboard/chemical-lists/
  9. European Chemicals Agency (ECHA)
    LICENSE
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    https://echa.europa.eu/web/guest/legal-notice
  10. FDA Global Substance Registration System (GSRS)
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    https://www.fda.gov/about-fda/about-website/website-policies#linking
  11. Hazardous Substances Data Bank (HSDB)
  12. Human Metabolome Database (HMDB)
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    http://www.hmdb.ca/citing
  13. ILO-WHO International Chemical Safety Cards (ICSCs)
  14. International Fragrance Association (IFRA)
    LICENSE
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    https://ifrafragrance.org/links/copyright
  15. New Zealand Environmental Protection Authority (EPA)
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  16. Occupational Safety and Health Administration (OSHA)
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  17. The National Institute for Occupational Safety and Health (NIOSH)
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    https://www.cdc.gov/Other/disclaimer.html
  18. EU Pesticides Database
  19. Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
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    https://haz-map.com/About
  20. ChEBI
  21. E. coli Metabolome Database (ECMDB)
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    https://ecmdb.ca/citations
  22. LOTUS - the natural products occurrence database
    LICENSE
    The code for LOTUS is released under the GNU General Public License v3.0.
    https://lotus.nprod.net/
  23. NCI Thesaurus (NCIt)
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    https://www.cancer.gov/policies/copyright-reuse
  24. Open Targets
    LICENSE
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    https://platform-docs.opentargets.org/licence
  25. Yeast Metabolome Database (YMDB)
    LICENSE
    YMDB is offered to the public as a freely available resource.
    http://www.ymdb.ca/downloads
  26. CCSbase
    CCSbase Classification
    https://ccsbase.net/
  27. NORMAN Suspect List Exchange
    LICENSE
    Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0
    https://creativecommons.org/licenses/by/4.0/
    Sucrose
    NORMAN Suspect List Exchange Classification
    https://www.norman-network.com/nds/SLE/
  28. ChEMBL
    LICENSE
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    http://www.ebi.ac.uk/Information/termsofuse.html
  29. ClinicalTrials.gov
    LICENSE
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    https://clinicaltrials.gov/ct2/about-site/terms-conditions#Use
  30. Comparative Toxicogenomics Database (CTD)
    LICENSE
    It is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.
    http://ctdbase.org/about/legal.jsp
  31. Therapeutic Target Database (TTD)
  32. Consumer Product Information Database (CPID)
    LICENSE
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    https://www.whatsinproducts.com/contents/view/1/6
    Consumer Products Category Classification
    https://www.whatsinproducts.com/
  33. Cosmetic Ingredient Review (CIR)
  34. EPA Chemical and Products Database (CPDat)
  35. Crystallography Open Database (COD)
    LICENSE
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    https://creativecommons.org/publicdomain/zero/1.0/
  36. The Cambridge Structural Database
  37. DailyMed
  38. ECI Group, LCSB, University of Luxembourg
    LICENSE
    Data: CC-BY 4.0; Code: Artistic-2.0
    https://creativecommons.org/licenses/by/4.0/
    sucrose
  39. Natural Product Activity and Species Source (NPASS)
  40. West Coast Metabolomics Center-UC Davis
    Sucrose
  41. EPA Safer Choice
    EPA Safer Chemical Ingredients Classification
    https://www.epa.gov/saferchoice
  42. FDA Substances Added to Food
    LICENSE
    Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
    https://www.fda.gov/about-fda/about-website/website-policies#linking
  43. FooDB
    LICENSE
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    https://foodb.ca/about
  44. MassBank of North America (MoNA)
    LICENSE
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    https://mona.fiehnlab.ucdavis.edu/documentation/license
  45. MassBank Europe
  46. SpectraBase
  47. Japan Chemical Substance Dictionary (Nikkaji)
  48. KEGG
    LICENSE
    Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license
    https://www.kegg.jp/kegg/legal.html
    Therapeutic category of drugs in Japan
    http://www.genome.jp/kegg-bin/get_htext?br08301.keg
    Drugs listed in the Japanese Pharmacopoeia
    http://www.genome.jp/kegg-bin/get_htext?br08311.keg
    Risk category of Japanese OTC drugs
    http://www.genome.jp/kegg-bin/get_htext?br08312.keg
  49. Metabolomics Workbench
  50. National Drug Code (NDC) Directory
    LICENSE
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    https://www.fda.gov/about-fda/about-website/website-policies#linking
  51. NIPH Clinical Trials Search of Japan
  52. NLM RxNorm Terminology
    LICENSE
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    https://www.nlm.nih.gov/research/umls/rxnorm/docs/termsofservice.html
  53. PharmGKB
    LICENSE
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    https://www.pharmgkb.org/page/policies
  54. Rhea - Annotated Reactions Database
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    https://www.rhea-db.org/help/license-disclaimer
  55. Springer Nature
  56. SpringerMaterials
  57. Thieme Chemistry
    LICENSE
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    https://creativecommons.org/licenses/by-nc-nd/4.0/
  58. Wikidata
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    https://www.nlm.nih.gov/copyright.html
  61. PubChem
  62. GHS Classification (UNECE)
  63. EPA Substance Registry Services
  64. Glycan Naming and Subsumption Ontology (GNOme)
    GNOme
  65. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
  66. PATENTSCOPE (WIPO)
CONTENTS