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About This Item
Linear Formula:
(CH3)3CCH2C(CH3)=CH2+(CH3)3CCH=C(CH3)2
CAS Number:
Molecular Weight:
112.21
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Beilstein/REAXYS Number:
1098309
Assay:
≥90% (3 parts 2,4,4-trimethyl-1-pentene + 1 part 2,4,4-trimethyl-2-pentene, GC)
Product Name
Diisobutylene, technical, ≥90% (3 parts 2,4,4-trimethyl-1-pentene + 1 part 2,4,4-trimethyl-2-pentene, GC)
grade
technical
Quality Level
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
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
hcodes
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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The isomers in ?diisobutylene?. II1.
Tongberg CO, et al.
Journal of the American Chemical Society, 54(9), 3706-3710 (1932)
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)
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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 38180-1L-F | 04061837369506 |



