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540846

Sigma-Aldrich

2,2,3,3-Tetramethylbutane

≥94%

Synonym(s):

Hexamethylethane, NSC 62039

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About This Item

Linear Formula:
(CH3)3CC(CH3)3
CAS Number:
594-82-1
Molecular Weight:
114.23
EC Number:
209-855-6
MDL number:
MFCD00008849
UNSPSC Code:
12352100
PubChem Substance ID:
24878499
NACRES:
NA.22

Quality Level

100

Assay

≥94%

mp

94-97 °C (lit.)

SMILES string

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

InChI

1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3

InChI key

OMMLUKLXGSRPHK-UHFFFAOYSA-N

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Related Categories

Signal Word

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - 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 2

Flash Point(F)

39.2 °F - closed cup

Flash Point(C)

4 °C - closed cup

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Jeffrey A Manion et al.
The journal of physical chemistry. A, 119(28), 7637-7658 (2015-04-15)
Presented is a combined experimental and modeling study of the kinetics of the reactions of H and CH3 with n-butane, a representative aliphatic fuel. Abstraction of H from n-alkane fuels creates alkyl radicals that rapidly decompose at high temperatures to

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