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Merck
CN

38180

Diisobutylene

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

Synonym(s):

2,4,4-Trimethyl-1-pentene + 2,4,4-Trimethyl-2-pentene

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About This Item

Linear Formula:
(CH3)3CCH2C(CH3)=CH2+(CH3)3CCH=C(CH3)2
CAS Number:
25167-70-8
Molecular Weight:
112.21
NACRES:
NA.21
PubChem Substance ID:
329755750
UNSPSC Code:
12352100
MDL number:
MFCD00008855
Beilstein/REAXYS Number:
1098309
Assay:
≥90% (3 parts 2,4,4-trimethyl-1-pentene + 1 part 2,4,4-trimethyl-2-pentene, GC)

Key Documents

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Product Name

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

InChI

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

SMILES string

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

InChI key

FXNDIJDIPNCZQJ-UHFFFAOYSA-N

grade

technical

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.)

Quality Level

100

Related Categories

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.

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

21.2 °F - closed cup

flash_point_c

-6 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCM8393
BCCL6974
BCCK6222
BCCG4500
BCCC9182

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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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