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About This Item
Linear Formula:
CH3CH2C(CH3)3
CAS Number:
Molecular Weight:
86.18
Beilstein:
1730736
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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vapor density
2.97 (vs air)
Quality Level
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
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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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Central nervous system
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
-20.2 °F - closed cup
Flash Point(C)
-29 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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
Michael H Abraham et al.
European journal of medicinal chemistry, 43(3), 478-485 (2007-06-05)
Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a correlation with R(2)=0.968 and S.D.=0.25 log units. Combination
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