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2,4,4-Trimethyl-2-pentene

PubChem CID
7869
Structure
2,4,4-Trimethyl-2-pentene_small.png
2,4,4-Trimethyl-2-pentene_3D_Structure.png
Molecular Formula
Synonyms
  • 2,4,4-TRIMETHYL-2-PENTENE
  • 107-40-4
  • 2,4,4-Trimethylpent-2-ene
  • 2-Pentene, 2,4,4-trimethyl-
  • 2,2,4-Trimethyl-3-pentene
Molecular Weight
112.21 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2005-03-27
  • Modify:
    2024-12-27
Description
Diisobutylene, isomeric compounds appears as a clear colorless liquid with a petroleum-like odor. Flash point 10 °F. Less dense than water and insoluble in water. Vapors heavier than air. Used in the manufacture of other chemicals.

1 Structures

1.1 2D Structure

Chemical Structure Depiction
2,4,4-Trimethyl-2-pentene.png

1.2 3D Conformer

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4,4-trimethylpent-2-ene
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

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

2.1.4 SMILES

CC(=CC(C)(C)C)C
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)

2.2 Molecular Formula

C8H16
Computed by PubChem 2.2 (PubChem release 2021.10.14)

C8H16

CH3C(CH3)=CHC(CH3)3

2.3 Other Identifiers

2.3.1 CAS

107-40-4
25167-70-8

2.3.2 Deprecated CAS

12002-23-2

2.3.3 European Community (EC) Number

2.3.4 UNII

2.3.5 UN Number

2.3.6 ChEMBL ID

2.3.7 DSSTox Substance ID

2.3.8 ICSC Number

2.3.9 Nikkaji Number

2.3.10 Wikidata

2.4 Synonyms

2.4.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
112.21 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
3.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
112.125200510 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
112.125200510 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
8
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
87.1
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

Diisobutylene, isomeric compounds appears as a clear colorless liquid with a petroleum-like odor. Flash point 10 °F. Less dense than water and insoluble in water. Vapors heavier than air. Used in the manufacture of other chemicals.
Liquid; Dry Powder
Colorless liquid with an odor of gasoline; [HSDB]
Colorless liquid; [ICSC]
COLOURLESS LIQUID.

3.2.2 Color / Form

Colorless liquid
Verschueren, K. Handbook of Environmental Data on Organic Chemicals. 3rd ed. New York, NY: Van Nostrand Reinhold Co., 1996., p. 1854

3.2.3 Boiling Point

214.7 °F at 760 mmHg (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.
104.9 °C
Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-248
104 °C

3.2.4 Melting Point

-136.3 °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.
-106.3 °C
Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-248
-106 °C

3.2.5 Flash Point

35 °F (est.) (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.
-5 °C
1.7 °C
35 °F (2 °C) (OPEN CUP)
Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-91
1.7 °C o.c.

3.2.6 Solubility

Insoluble in water; soluble in ethyl ether, benzene, chloroform.
Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-248
Solubility in water: none

3.2.7 Density

0.715 at 68 °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.
0.7218 @ 20 °C/4 °C
Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-248
Relative density (water = 1): 0.72

3.2.8 Vapor Density

3.8 (AIR= 1)
National Fire Protection Association. Fire Protection Guide on Hazardous Materials. 7th ed. Boston, Mass.: National Fire Protection Association, 1978., p. 325M-184
Relative vapor density (air = 1): 3.9

3.2.9 Vapor Pressure

82.72 mmHg (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.
44.7 [mmHg]
35.9 [mmHg]
35.9 mm Hg @ 25 °C
Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Vapor pressure, kPa at 38 °C: 11.02

3.2.10 Autoignition Temperature

788 °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.
581 °F (305 °C)
Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-91
305 °C

3.2.11 Viscosity

2.7903 Pa.s @ 166.84 K
Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

3.2.12 Heat of Vaporization

4.4208X10+7 @ 166.84 K
Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

3.2.13 Surface Tension

3.3078X10-2 @ 166.8 K
Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

3.2.14 Refractive Index

Index of refraction: 1.4160 @ 20 °C/D
Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-248

3.2.15 Kovats Retention Index

Standard non-polar
724, 726.7, 724, 725, 726, 726, 727, 728, 725.8, 726.8, 727.5, 727.8, 728.2, 728.7, 728.8, 729.5, 729.5, 730.2, 730.3, 730.9, 727, 728, 729, 718, 722, 727, 715
Semi-standard non-polar
714.5, 714, 729.5, 729.8, 730.1, 730.5, 730.9, 731.3, 717, 715, 715, 716, 715, 715, 701, 704, 707, 709, 714.5, 715, 730, 730, 727

3.3 SpringerMaterials Properties

3.4 Chemical Classes

Other Classes -> Aliphatics, Unsaturated

4 Spectral Information

4.1 1D NMR Spectra

1 of 2
1D NMR Spectra
NMR: 7336 (Sadtler Research Laboratories Spectral Collection)
2 of 2
1D NMR Spectra

4.1.1 1H NMR Spectra

1 of 2
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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2 of 2
Instrument Name
Varian A-60
Source of Sample
Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright
Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
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4.1.2 13C NMR Spectra

1 of 2
Source of Sample
MCB Manufacturing Chemists, Norwood, Ohio
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail
2 of 2
Instrument Name
BRUKER AM-360
Copyright
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Thumbnail
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4.2 Mass Spectrometry

4.2.1 GC-MS

1 of 5
View All
NIST Number
230810
Library
Main library
Total Peaks
62
m/z Top Peak
97
m/z 2nd Highest
55
m/z 3rd Highest
41
Thumbnail
Thumbnail
2 of 5
View All
NIST Number
63141
Library
Replicate library
Total Peaks
68
m/z Top Peak
55
m/z 2nd Highest
97
m/z 3rd Highest
41
Thumbnail
Thumbnail

4.2.2 Other MS

Other MS
MASS: 383 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)

4.3 UV Spectra

MAX ABSORPTION (ALCOHOL): 207 NM (LOG E= 3.40)
Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-422
UV: 5-158 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York)
Weast, R.C. and M.J. Astle. CRC Handbook of Data on Organic Compounds. Volumes I and II. Boca Raton, FL: CRC Press Inc. 1985., p. V2 31

4.4 IR Spectra

IR Spectra
IR: 298 (Sadtler Research Laboratories Prism Collection)

4.4.1 FTIR Spectra

1 of 2
Technique
CAPILLARY CELL: 0.015 MM
Source of Sample
Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail
2 of 2
Technique
Layer between KBr
Source of Sample
Fluka
Copyright
Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Thumbnail
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4.4.2 ATR-IR Spectra

Source of Sample
Aldrich
Catalog Number
143820
Copyright
Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
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4.4.3 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.
Thumbnail
Thumbnail
2 of 2
Source of Spectrum
Sigma-Aldrich Co. LLC.
Source of Sample
Sigma-Aldrich Co. LLC.
Catalog Number
143820
Copyright
Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
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4.5 Raman Spectra

Catalog Number
143820
Copyright
Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
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6 Chemical Vendors

7 Use and Manufacturing

7.1 Uses

Sources/Uses
Used in organic synthesis and in antioxidants, surfactants, lube additives, plasticizers, and rubber chemicals; Also used as a dispersant (co-monomer with maleic anhydride); [HSDB] Used in organic synthesis and to improve paper coatability; [AIHA]
AIHA - Workplace Environmental Exposure Level Guides, Complete Set and Update Set. Fairfax, VA: AIHA, 2008.
Industrial Processes with risk of exposure
Pulp and Paper Processing [Category: Industry]
Sources/Uses
Used for organic synthesis; A constituent of gasoline; [HSDB]
Industrial Processes with risk of exposure
Organic synthesis
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 1184
CHEM INT FOR ISOOCTANE FUEL (FORMER USE)
SRI
Constituent of gasoline
Kaiser EW et al; Environ Sci Technol 27: 1440-7 (1993)

7.1.1 Use Classification

Hazard Classes and Categories -> Flammable - 3rd degree

7.1.2 Industry Uses

  • Antioxidant
  • Solvent
  • Intermediate
  • Fuel agents
  • Not Known or Reasonably Ascertainable
  • Intermediates
  • Lubricating agent

7.1.3 Consumer Uses

Intermediates

7.2 Methods of Manufacturing

EXTRACTION OF ISOBUTYLENE WITH SULFURIC ACID FOLLOWED BY HEATING OF EXTRACT TO RELEASE ISOMERIC DIISOBUTYLENES (DIB MIXT); BY-PRODUCT IN THE MFR OF METHYL TERT-BUTYL ETHER & BUTADIENE
SRI

7.3 Formulations / Preparations

Grade: 95%.
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 1184

7.4 U.S. Production

Aggregated Product Volume

2019: 20,000,000 lb - <100,000,000 lb

2018: 20,000,000 lb - <100,000,000 lb

2017: 20,000,000 lb - <100,000,000 lb

2016: 20,000,000 lb - <100,000,000 lb

Aggregated Product Volume

2017: 63,550 lb

2016: 105,728 lb

(1982) 2.4X10+10 G (EST CONSUMPTION, DIB MIXT)
SRI

7.5 General Manufacturing Information

Industry Processing Sectors
  • All Other Basic Organic Chemical Manufacturing
  • Paint and Coating Manufacturing
  • Wholesale and Retail Trade
  • Not Known or Reasonably Ascertainable
  • Plastics Material and Resin Manufacturing
  • Petrochemical Manufacturing
  • Soap, Cleaning Compound, and Toilet Preparation Manufacturing
  • Rubber Product Manufacturing
EPA TSCA Commercial Activity Status
2-Pentene, 2,4,4-trimethyl-: ACTIVE
EPA TSCA Commercial Activity Status
Pentene, 2,4,4-trimethyl-: ACTIVE
A group of isomers of the formula C8-H16, of which 2,4,4-trimethylpentene-1 & 2,4,4-trimethylpentene-2 are the most important since they are formed in appreciable amt when isobutene (isobutylene) is polymerized. /Diisobutylene/
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 405
ACETYLATED DIISOBUTYLENE WAS PREPARED BY HEATING 30 G DIISOBUTYLENE (CONTAINING 80% 2,4,4-TRIMETHYL-1-PENTENE & 20% 2,4,4-TRIMETHYL-2-PENTENE), 41 G AC2O, & 6 G CATION EXCHANGER KU-23 @ APPROX 60 °C FOR APPROX 5 HR. ACETYLATED DIISOBUTYLENE MAY BE USED IN PERFUMERY.
PODBEREZINA AS ET AL; ZH VSES KHIM O-VA 23 (3): 343 (1978)
Alkylation, intermediates, antioxidants, surfactants, lube additives, plasticizers, & rubber chemicals. /Diisobutylene - including 2,4,4-trimethyl-2-pentene isomer/
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 405
CHEM INT FOR OCTYLPHENOL, EG, FOR SURFACTANTS-AS DIB MIXT
SRI
For more General Manufacturing Information (Complete) data for 2,4,4-TRIMETHYL-2-PENTENE (8 total), please visit the HSDB record page.

8 Identification

8.1 Analytic Laboratory Methods

A CHROMATOGRAPHIC METHOD FOR IDENTIFYING THE VOLATILE COMPONENTS OF RUBBERS AS IMPURITIES IN AIR IS DESCRIBED. A FLAME IONIZATION DETECTOR & COPPER CAPILLARY COLUMN WITH SQUALANE WAS USED. A LARGE NUMBER OF COMPONENTS WERE IDENTIFIED, INCLUDING 2,4,4-TRIMETHYL-2-PENTENE FROM BUTADIENE RUBBER.
DRUGOV YS, MURAVEVA GV; CHROMATOGRAPHIC METHOD FOR THE IDENTIFICATION OF VOLATILE COMPONENTS OF RUBBERS AS IMPURITIES IN AIR; ZH ANAL KHIM 34(11) 2252 (1979)

9 Safety and Hazards

9.1 Hazards Identification

9.1.1 GHS Classification

1 of 6
View All
Pictogram(s)
Flammable
Irritant
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

H304 (64%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

H315 (66%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (66%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H335 (66%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

H336 (44.2%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

H411 (46.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, 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 197 reports by companies from 6 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.

9.1.2 Hazard Classes and Categories

Flam. Liq. 2 (100%)

Asp. Tox. 1 (64%)

Skin Irrit. 2 (66%)

Eye Irrit. 2 (66%)

STOT SE 3 (66%)

STOT SE 3 (44.2%)

Aquatic Chronic 2 (46.2%)

Flam. Liq. 2 (82.5%)

Asp. Tox. 1 (78.8%)

STOT SE 3 (78.5%)

Aquatic Acute 1 (66.6%)

Aquatic Chronic 1 (66.6%)

9.1.3 NFPA Hazard Classification

NFPA 704 Diamond
2-3-0
NFPA Health Rating
2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.
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.

9.1.4 Health Hazards

Low general toxicity; may act as simple asphyxiant in high vapor concentrations. (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.

9.1.5 Fire Hazards

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

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. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion or sodium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2024)

Highly flammable. Vapour/air mixtures are explosive.

9.1.6 Hazards Summary

A skin, eye, and respiratory tract irritant; [ICSC] Inhalation of high concentrations can cause CNS depression; May act as a simple asphyxiant at high vapor concentrations; [HSDB] An irritant; [MSDSonline] A CNS depressant; [AIHA]
AIHA - Workplace Environmental Exposure Level Guides, Complete Set and Update Set. Fairfax, VA: AIHA, 2008.
A skin irritant; May cause CNS effects; [ICSC] An irritant; [MSDSonline]

9.1.7 Fire Potential

FLAMMABLE, DANGEROUS FIRE RISK.
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 1184

9.1.8 Skin, Eye, and Respiratory Irritations

IRRITANT & /CNS DEPRESSANT/ IN HIGH CONCN.
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 1184

9.2 Safety and Hazard Properties

9.2.1 Lower Explosive Limit (LEL)

0.9 % (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.

9.2.2 Critical Temperature & Pressure

Critical temperature: 555 K; critical pressure: 2.68X10+6 Pa
Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

9.2.3 Physical Dangers

The vapour is heavier than air and may travel along the ground; distant ignition possible.

9.3 First Aid Measures

Inhalation First Aid
Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.
Skin First Aid
First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again.
Eye First Aid
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Ingestion First Aid
Rinse mouth. Do NOT induce vomiting.

9.3.1 First Aid

INHALATION: remove from exposure; support respiration. (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.

9.4 Fire Fighting

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. CAUTION: For mixtures containing alcohol or polar solvent, alcohol-resistant foam may be more effective.

SMALL FIRE: Dry chemical, CO2, water spray or regular foam. If regular foam is ineffective or unavailable, use alcohol-resistant foam.

LARGE FIRE: Water spray, fog or regular foam. If regular foam is ineffective or unavailable, use 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. For petroleum crude oil, do not spray water directly into a breached tank car. This can lead to a dangerous boil over. 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 powder, AFFF, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

9.4.1 Fire Fighting Procedures

WATER MAY BE INEFFECTIVE.
Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-91

9.5 Accidental Release Measures

9.5.1 Isolation and Evacuation

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

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)

9.5.2 Spillage Disposal

Evacuate danger area! Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

9.5.3 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.

9.5.4 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.

9.6 Handling and Storage

9.6.1 Nonfire Spill Response

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

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)

9.6.2 Safe Storage

Fireproof. Separated from oxidants. Cool.

9.7 Exposure Control and Personal Protection

9.7.1 Inhalation Risk

No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

9.7.2 Effects of Short Term Exposure

The substance is irritating to the skin. The substance may cause effects on the central nervous system.

9.7.3 Personal Protective Equipment (PPE)

Protective goggles. (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.

9.7.4 Preventions

Fire Prevention
NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Do NOT use compressed air for filling, discharging, or handling. Use non-sparking handtools.
Exposure Prevention
PREVENT GENERATION OF MISTS!
Inhalation Prevention
Use ventilation, local exhaust or breathing protection.
Skin Prevention
Protective gloves.
Eye Prevention
Wear safety spectacles.
Ingestion Prevention
Do not eat, drink, or smoke during work.

9.8 Stability and Reactivity

9.8.1 Air and Water Reactions

Highly flammable. Insoluble in water.

9.8.2 Reactive Group

Hydrocarbons, Aliphatic Unsaturated

9.8.3 Reactivity Alerts

Highly Flammable

9.8.4 Reactivity Profile

DIISOBUTYLENE may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas.

9.9 Transport Information

9.9.1 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 (7/1/96)
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.3069 (1988)

9.9.2 DOT Label

Flammable Liquid

9.9.3 UN Classification

UN Hazard Class: 3; UN Pack Group: II

9.10 Regulatory Information

The Australian Inventory of Industrial Chemicals
Chemical: 2-Pentene, 2,4,4-trimethyl-
The Australian Inventory of Industrial Chemicals
Chemical: Pentene, 2,4,4-trimethyl-
REACH Registered Substance
New Zealand EPA Inventory of Chemical Status
2-Pentene, 2,4,4-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
New Zealand EPA Inventory of Chemical Status
Pentene, 2,4,4-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard

10 Toxicity

10.1 Toxicological Information

10.1.1 EPA Provisional Peer-Reviewed Toxicity Values

Chemical Substance
PPRTV Assessment
Weight-Of-Evidence (WOE)
Inadequate information to assess carcinogenic potential
Last Revision
2015

10.1.2 Exposure Routes

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

10.1.3 Symptoms

Inhalation Exposure
Drowsiness. Headache. Nausea.
Skin Exposure
Redness.
Ingestion Exposure
Abdominal pain. Vomiting.

10.1.4 Adverse Effects

Neurotoxin - Acute solvent syndrome

10.1.5 Toxicity Data

LC50 (rat) = 6,875 ppm/4h

10.1.6 Human Toxicity Excerpts

IRRITANT & /CNS DEPRESSANT/ IN HIGH CONCN.
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 1184

10.2 Ecological Information

10.2.1 US EPA Regional Screening Levels for Chemical Contaminants

Resident Soil (mg/kg)
5.10e+02
Industrial Soil (mg/kg)
6.60e+03
Tapwater (ug/L)
1.10e+02
MCL (ug/L)
5.00e+01
Risk-based SSL (mg/kg)
6.10e-02
MCL-based SSL (mg/kg)
2.80e-02
Chronic Oral Reference Dose (mg/kg-day)
8.00e-03
Volatile
Volatile
Mutagen
Mutagen
Fraction of Contaminant Absorbed in Gastrointestinal Tract
1
Fraction of Contaminant Absorbed Dermally from Soil
0.1

10.2.2 US EPA Regional Removal Management Levels for Chemical Contaminants

Resident Soil (mg/kg)
9.10e+02
Industrial Soil (mg/kg)
5.30e+03
Resident Air (ug/m3)
1.90e+02
Industrial Air (ug/m3)
7.90e+02
Tapwater (ug/L)
1.70e+02
MCL (ug/L)
5.00e+01
Chronic Oral Reference Dose (mg/kg-day)
1.00e-02
Chronic Inhalation Reference Concentration (mg/m3)
6.00e-02
Volatile
Volatile
Mutagen
Mutagen
Fraction of Contaminant Absorbed in Gastrointestinal Tract
1
Soil Saturation Concentration (mg/kg)
2.19e+02

10.2.3 Environmental Fate / Exposure Summary

2,2,4-Trimethyl-2-pentene's production and use in diisobutylene and gasoline products as well as its use as a chemical intermediate may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 35.9 mm Hg at 25 °C indicates 2,2,4-trimethyl-2-pentene will exist solely in the vapor-phase in the ambient atmosphere. Vapor-phase 2,2,4-triemthyl-2-pentene 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 4.4 hrs. The second order rate constant for the vapor-phase reaction of 2,2,4-trimethyl-2-pentene with photochemically-produced ozone has been determined to be 1.39X10-16 cu cm/molecule sec at 23.6 °C; the half-life for this reaction is 2 hours. Reaction of vapor-phase 2,2,4-trimethyl-2-pentene with nitrate radical may be an important night-time loss process based on its molecular structure. If released to soil, 2,2,4-trimethyl-2-pentene is expected to have moderate mobility based upon an estimated Koc of 276. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 0.881 atm-cu m/mole. 2,2,4-Trimethyl-2-pentene may potentially volatilize from dry soil surfaces based upon its vapor pressure. On exposure of 2,4,4-trimethyl-2-pentene to activated sludge in the Warburg respirometer test using oxygen uptake as a measure of oxidation, a theoretical oxygen demand for 6,12, and 24 hour exposures was 0.4%, 0.3%, and 0.7%, respectively suggesting that biodegradation in soil and water is expected to be slow. If released into water, 2,2,4-triemtheyl-2-pentene is expected to slightly adsorb to suspended solids and sediment in the water column based upon the estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 3.1 and 101 hours, respectively. However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. An estimated BCF of 240 suggests the potential for bioconcentration in aquatic organisms is high. Hydrolysis is not expected to occur due to the lack of hydrolyzable functional groups. Occupational exposure to 2,2,4-trimethyl-2-pentene may occur through inhalation and dermal contact with this compound at workplaces where 2,2,4-trimethyl-2-pentene is produced or used. The general population may be exposed to 2,2,4-trimethyl-2-pentene via inhalation of ambient air with this compound, gasoline products containing 2,2,4-trimethyl-2-pentene and diisobutylene. (SRC)

10.2.4 Artificial Pollution Sources

2,2,4-Trimethyl-2-pentene's production and use in diisobutylene(1) and in gasoline products(2,3) may result in its release to the environment through various waste streams(SRC).
(1) Lewis RJ Sr; Hawley's Condensed Chemical Dictionary. 12th Ed. NY,NY: Van Nostrand Reinhold Company p 405 (1993)
(2) Kaiser EW et al; Environ Sci Technol 27: 1440-47 (1993)
(3) Sawyer RF; Environ Health Perspect 101: 5-12 (1994)

10.2.5 Environmental Fate

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 276(SRC), determined from a structure estimation method(2), indicates that 2,2,4-trimethyl-2-pentene is expected to have moderate mobility in soil(SRC). Volatilization of 2,2,4-trimethyl-2-pentene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.881 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The potential for volatilization of 2,2,4-trimethyel-2-pentene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 35.9 mm Hg(4). On exposure of 2,4,4-trimethyl-2-pentene to activated sludge in the Warburg respirometer test using oxygen uptake as a measure of oxidation, a theoretical oxygen demand for 6,12, and 24 hour exposures was 0.4%, 0.3%, and 0.7%, respectively suggesting that biodegradation in soil and water is expected to be slow(5).
(1) Swann RL et al; Res Rev 85: 17-28 (1983)
(2) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992)
(3) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991)
(4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY, NY: Hemisphere Pub Corp 5 Vol (1989)
(5) Gerhold RM et al; J Water Pollut Contr Fed 38: 562-79 (1966)
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 276(SRC), determined from a structure estimation method(2), indicates that 2,2,4-trimethyl-2-pentene is expected to slightly adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected to occur rapidly(3) based upon an estimated Henry's Law constant of 0.881 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Volatilization half-lives for a model river and model lake are 3.1 and 101 hrs, respectively(SRC), using an estimation method(3). On exposure of 2,4,4-trimethyl-2-pentene to activated sludge in the Warburg respirometer test using oxygen uptake as a measure of oxidation, a theoretical oxygen demand for 6,12, and 24 hour exposures was 0.4%, 0.3%, and 0.7%, respectively suggesting that biodegradation in soil and water is expected to be slow(5). According to a classification scheme(4), an estimated BCF of 240(3,SRC), from an estimated log Kow of 4.0(6,SRC), suggests the potential for bioconcentration in aquatic organisms is high.
(1) Swann RL et al; Res Rev 85: 17-28 (1983)
(2) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992)
(3) Meylan WM et al; Environ Toxicol Chem 18: 664-72 (1999)
(4) Franke C et al; Chemosphere 29: 1501-14 (1994)
(5) Gerhold RM et al; J Water Pollut Contr Fed 38: 562-79 (1966)
(6) Meylan WM, Howard PH; J Pharm Sci 84: 83-92 (1995)
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2,2,4-triemthyl-2-pentene, which has a vapor pressure of 35.9 mm Hg at 25 °C(2), is expected to exist solely in the vapor phase in the ambient atmosphere. Vapor-phase 2,2,4-triemthyl-2-pentene 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 4.4 hrs(SRC), calculated from its estimated rate constant of 8.77X10-11 cu cm/molecule-sec at 25 °C(SRC)determined using a structure estimation method(3). The second-order rate constant for the vapor-phase reaction of 2,2,4-trimethyl-2-pentene with photochemically-produced ozone is 1.39X10-16 cu cm/molecule sec at 296.6 K; the half-life for this reaction is 2 hours(4). Reaction of vapor-phase 2,2,4-trimethyl-2-pentene with nitrate radical may be an important night-time loss process based on its molecular structure(5).
(1) Bidleman TF; Environ Sci Technol 22: 361-367 (1988)
(2) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY,NY: Hemisphere Pub Corp 5 Vol (1989)
(3) Meylan WM, Howard PH; Chemosphere 26: 2293-99 (1993)
(4) Grosjean E et al; Int J Chem Kinet 28: 911-8 (1996)
(5) Atkinson, R et al; J Phys Chem 92: 3454-3457 (1988)

10.2.6 Environmental Biodegradation

AEROBIC: On exposure of 2,4,4-trimethyl-2-pentene to activated sludge in the Warburg respirometer test using oxygen uptake as a measure of oxidation, a theoretical oxygen demand for 6,12, and 24 hour exposures was 0.4%, 0.3%, and 0.7%, respectively suggesting that biodegradation in soil and water is expected to be slow(1).
(1) Gerhold RM et al; J Water Pollut Contr Fed 38: 562-79 (1966)

10.2.7 Environmental Abiotic Degradation

The rate constant for the vapor-phase reaction of 2,2,4-trimethyl-2-pentene with photochemically-produced hydroxyl radicals has been estimated as 8.77X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 4.4 hrs at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). The second order rate constant for the vapor-phase reaction of 2,2,4-trimethyl-2-pentene with photochemically-produced ozone has been determined to be 1.39X10-16 cu cm/molecule sec at 296.6 K. This corresponds to a half-life of 2 hrs(2) at an atmospheric concentration of 7.0X10+11 molec/cu cm(3). Reaction of vapor-phase 2,2,4-trimethyl-2-pentene with nitrate radical may be an important night-time loss process based on its molecular structure(4). 2,2,4-Trimethyl-2-pentene is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(5) nor to directly photolyze due to the lack of absorption in the environmental UV spectrum.
(1) Meylan WM, Howard PH; Chemosphere 26: 2293-99 (1993)
(2) Grosjean E et al; Int J Chem Kinet 28: 911-8 (1996)
(3) Atkinson R et al; Chem Rev 84: 437-470 (1984)
(4) Atkinson R et al; J Phys Chem 92: 3454-3457 (1988)
(5) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 7-4, 7-5 (1990)

10.2.8 Environmental Bioconcentration

An estimated BCF of 240 was calculated for 2,2,4-trimethyl-2-pentene(SRC), using an estimated log Kow of 4.0(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high.
(1) Meylan WM, Howard PH; J Pharm Sci 84: 83-92 (1995)
(2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 5-4, 5-10 (1990)
(3) Franke C et al; Chemosphere 29: 1501-14 (1994)

10.2.9 Soil Adsorption / Mobility

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 2,2,4-trimethyl-2-pentene can be estimated to be about 276(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,2,4-trimethyl-2-pentene is expected to have moderate mobility in soil.
(1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992)
(2) Swann RL et al; Res Rev 85: 17-28 (1983)

10.2.10 Volatilization from Water / Soil

The Henry's Law constant for 2,2,4-trimethyl-2-pentene is estimated as 0.881 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2,2,4-trimethyl-2-pentene is expected to volatilize rapidly 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 3.1 hrs(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 101 hrs(SRC). 2,2,4-Trimethyl-2-pentene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 2,2,4-trimethyl-2-pentene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 35.9 mm Hg(3).
(1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991)
(2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
(3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY, NY: Hemisphere Pub Corp 5 Vol (1989)

10.2.11 Effluent Concentrations

2,2,4-Trimethyl-2-pentene is reported to be 0.011% by composition of industrial average gasoline(1). In a study of alternative fuels, 2,4,4-trimethyl-2-pentene was detected at 88 ppm in undiluted exhaust samples from the use of 100% diisobutylene fuel(2). In a mixture of 19.7% diisobutylene and 80.3% gasoline fuel, 2,4,4-trimethyl-2-pentene was detected at 20 ppm in undiluted exhaust samples(2).
(1) Sawyer RF; Environ Health Perspect 101: 5-12 (1994)
(2) Kaiser EW et al; Environ Sci Technol 27: 1440-47 (1993)

10.2.12 Atmospheric Concentrations

URBAN/SUBURBAN: 2,2,4-Trimethyl-2-pentene has been reported as emanating from motor vehicles in either exhaust, blowby or fuel evaporation, concentration not specified(1).
(1) Hampton CV et al; Environ Sci Technol 16: 287-98 (1982)

10.2.13 Probable Routes of Human Exposure

Occupational exposure to 2,2,4-trimethyl-2-pentene may occur through inhalation and dermal contact with this compound at workplaces where 2,2,4-trimethyl-2-pentene is produced or used(SRC). The general population may be exposed to 2,2,4-trimethyl-2-pentene as a result of volatilization from products containing this constituent such as gasoline(2,3) and diisobutylene(4), and subsequent inhalation of ambient air(1). Inhalation exposure may also occur as this constituent has been detected as a combustion product(2).
(1) Hampton CV et al; Environ Sci Technol 16: 287-98 (1982)
(2) Kaiser EW et al; Environ Sci Technol 27: 1440-47 (1993)
(3) Sawyer RF; Environ Health Perspect 101: 5-12 (1994)
(4) Lewis RJ Sr; Hawley's Condensed Chemical Dictionary. 12th Ed. NY, NY: Van Nostrand Reinhold Company p. 405 (1993)

11 Associated Disorders and Diseases

Associated Occupational Diseases with Exposure to the Compound
Solvents, acute toxic effect [Category: Acute Poisoning]

12 Literature

12.1 Consolidated References

12.2 Springer Nature References

12.3 Thieme References

12.4 Wiley References

12.5 Nature Journal References

12.6 Chemical Co-Occurrences in Literature

12.7 Chemical-Gene Co-Occurrences in Literature

13 Patents

13.1 Depositor-Supplied Patent Identifiers

13.2 WIPO PATENTSCOPE

13.3 Chemical Co-Occurrences in Patents

13.4 Chemical-Disease Co-Occurrences in Patents

13.5 Chemical-Gene Co-Occurrences in Patents

14 Biological Test Results

14.1 BioAssay Results

15 Classification

15.1 ChemIDplus

15.2 UN GHS Classification

15.3 NORMAN Suspect List Exchange Classification

15.4 EPA DSSTox Classification

15.5 EPA TSCA and CDR Classification

15.6 EPA Substance Registry Services Tree

15.7 MolGenie Organic Chemistry Ontology

16 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
  2. CAMEO Chemicals
    LICENSE
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    https://cameochemicals.noaa.gov/help/reference/terms_and_conditions.htm?d_f=false
    DIISOBUTYLENE, ISOMERIC COMPOUNDS
    https://cameochemicals.noaa.gov/chemical/3225
  3. ILO-WHO International Chemical Safety Cards (ICSCs)
  4. CAS Common Chemistry
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    https://creativecommons.org/licenses/by-nc/4.0/
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  7. EPA Chemicals under the TSCA
    2-Pentene, 2,4,4-trimethyl-
    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. EPA Provisional Peer-Reviewed Toxicity Values (PPRTVs)
  10. European Chemicals Agency (ECHA)
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    https://www.fda.gov/about-fda/about-website/website-policies#linking
  12. Hazardous Substances Data Bank (HSDB)
  13. New Zealand Environmental Protection Authority (EPA)
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    https://www.epa.govt.nz/about-this-site/general-copyright-statement/
  14. NJDOH RTK Hazardous Substance List
  15. Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
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    https://haz-map.com/About
    2,4,4-Trimethyl-2-pentene
    https://haz-map.com/Agents/2977
  16. ChEMBL
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    http://www.ebi.ac.uk/Information/termsofuse.html
  17. EPA Regional Screening Levels for Chemical Contaminants at Superfund Sites
    Trichlorophenoxypropionic acid, -2,4,5
    https://epa-prgs.ornl.gov/cgi-bin/chemicals/csl_search
  18. Hazardous Chemical Information System (HCIS), Safe Work Australia
  19. NITE-CMC
    2,4,4-Trimethylpent-2-ene - FY2011 (New/original classication)
    https://www.chem-info.nite.go.jp/chem/english/ghs/11-mhlw-0046e.html
    Diisobutylene (Isomer mixture) - FY2021 (New/original classication)
    https://www.chem-info.nite.go.jp/chem/english/ghs/21-moe-0003e.html
  20. Regulation (EC) No 1272/2008 of the European Parliament and of the Council
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    https://eur-lex.europa.eu/content/legal-notice/legal-notice.html
  21. NMRShiftDB
  22. Japan Chemical Substance Dictionary (Nikkaji)
  23. Nature Synthesis
  24. NIST Mass Spectrometry Data Center
    LICENSE
    Data covered by the Standard Reference Data Act of 1968 as amended.
    https://www.nist.gov/srd/public-law
    2-Pentene, 2,4,4-trimethyl-
    http://www.nist.gov/srd/nist1a.cfm
  25. SpectraBase
  26. Springer Nature
  27. SpringerMaterials
  28. Thieme Chemistry
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    https://creativecommons.org/licenses/by-nc-nd/4.0/
  29. Wikidata
  30. Wiley
  31. PubChem
  32. GHS Classification (UNECE)
  33. NORMAN Suspect List Exchange
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    https://creativecommons.org/licenses/by/4.0/
    NORMAN Suspect List Exchange Classification
    https://www.norman-network.com/nds/SLE/
  34. EPA Substance Registry Services
  35. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
  36. PATENTSCOPE (WIPO)
CONTENTS