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38180

Sigma-Aldrich

Diisobutylene

technical, ≥90% (3 parts 2,4,4-trimethyl-1-pentene + 1 part 2,4,4-trimethyl-2-pentene, GC)

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Synonym(s):
2,4,4-Trimethyl-1-pentene + 2,4,4-Trimethyl-2-pentene
Linear Formula:
(CH3)3CCH2C(CH3)=CH2+(CH3)3CCH=C(CH3)2
CAS Number:
25167-70-8
Molecular Weight:
112.21
Beilstein:
1098309
MDL number:
MFCD00008855
UNSPSC Code:
12352100
PubChem Substance ID:
329755750
NACRES:
NA.21

grade

technical

Quality Level

100

Assay

≥90% (3 parts 2,4,4-trimethyl-1-pentene + 1 part 2,4,4-trimethyl-2-pentene, GC)

refractive index

n20/D 1.411

bp

101-103 °C (lit.)

density

0.716 g/mL at 20 °C (lit.)

SMILES string

CC(=C)CC(C)(C)C

InChI

1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3

InChI key

FXNDIJDIPNCZQJ-UHFFFAOYSA-N

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General description

Diisobutylene is an acyclic alkene. It is composed of a mixture of 2,4,4-trimethyl-1-pentene and 2,4,4- trimethyl-2-pentene (isomeric forms of diisobutylene). It is isostructural to to iso-octane. It can be synthesized from tertiary butyl alcohol.

Application

Diisobutylene, an alkene, may be used in the following studies:
  • To compose alternalte diesel fuel.
  • As fuel in single-cylinder engine; exhaust generated from combustion due to the burning of fuel has been reported to contain high concentrations of olefins.1
  • Preparation of mono- and dialkylated diphenylamines.

Signal Word

Danger

Hazard Statements

H225,H304,H336,H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system

WGK

WGK 3

Flash Point(F)

21.2 °F

Flash Point(C)

-6 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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The development of a detailed chemical kinetic mechanism for diisobutylene and comparison to shock tube ignition times.
Metcalfe WK, et al.
Proceedings of the Combustion Institute, 31(1), 377-384 (2007)
The isomers in ?diisobutylene?. II1.
Tongberg CO, et al.
Journal of the American Chemical Society, 54(9), 3706-3710 (1932)
Alkylation of diphenylamine with α-methylstyrene and diisobutylene using acid-treated clay catalysts.
Chitnis SR and Sharma MM.
J. Catal., 160(1), 84-94 (1996)

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