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D151408

2,2-Dimethylbutane

99%

Synonym(s):

Neohexane

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About This Item

Linear Formula:
CH3CH2C(CH3)3
CAS Number:
75-83-2
Molecular Weight:
86.18
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24893464
EC Number:
200-906-8
Beilstein/REAXYS Number:
1730736
MDL number:
MFCD00009321
Assay:
99%
Form:
liquid
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vapor density

2.97 (vs air)

Quality Level

100

vapor pressure

5.35 psi ( 20 °C)

assay

99%

form

liquid

autoignition temp.

797 °F

expl. lim.

~7.7 %

refractive index

n20/D 1.369 (lit.)

bp

50 °C (lit.)

mp

−100 °C (lit.)

density

0.649 g/mL at 25 °C (lit.)

SMILES string

CCC(C)(C)C

InChI

1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3

InChI key

HNRMPXKDFBEGFZ-UHFFFAOYSA-N

Application

Some of the reported applications of 2,2-dimethylbutane include:
  • Palladium-catalyzed radical oxidative alkoxycarbonylation to prepare various alkyl carboxylates.
  • Iridium-iron-catalyzed tandem dehydrogenation-isomerization-hydrosilylation to synthesize corresponding silane.

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Danger

Hazard Classifications

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

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

-20.2 °F - closed cup

flash_point_c

-29 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBZ5094V
MKBZ3286V
MKBZ1416V
MKBT8389V
MKBT5948V

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Conversion of alkanes to linear alkylsilanes using an iridium-iron-catalysed tandem dehydrogenation?isomerization?hydrosilylation.
Jia X and Huang Z
Nature Chemistry, 8(2), 157-161 (2016)
Oxidative Alkane C? H Alkoxycarbonylation.
Lu L, et al.
Chemistry?A European Journal , 22(41), 14484-14488 (2016)
Yohan Lee et al.
Environmental science & technology, 49(14), 8899-8906 (2015-06-25)
The CH4/CO2 replacement that occurs in sH hydrates is investigated, with a primary focus on the enhanced CH4 recovery induced via structural transformation with a CO2 injection. In this study, neohexane (NH) is used as a liquid hydrocarbon guest in
View All Related Papers

Global Trade Item Number

SKUGTIN
D151408-1KG04061837753411