540846

Sigma-Aldrich

2,2,3,3-Tetramethylbutane

≥94%

Synonym(s):
Hexamethylethane, NSC 62039
Linear Formula:
(CH3)3CC(CH3)3
CAS Number:
Molecular Weight:
114.23
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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

Target Organs

Central nervous system

RIDADR

UN1325 - class 4.1 - PG 2 - Flammable solids, organic, n.o.s., HI: all

WGK Germany

WGK 2

Flash Point(F)

39.2 °F - closed cup

Flash Point(C)

4 °C - closed cup

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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