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Merck
CN

132187

2,2,3-Trimethylbutane

≥99%

Synonym(s):

Pentamethylethane, Triptane

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About This Item

Linear Formula:
(CH3)2CHC(CH3)3
CAS Number:
Molecular Weight:
100.20
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
207-346-3
Beilstein/REAXYS Number:
1730756
MDL number:
Assay:
≥99%
Form:
liquid
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vapor pressure

3.37 psi ( 37.7 °C)

Quality Level

assay

≥99%

form

liquid

autoignition temp.

842 °F

expl. lim.

~7 %

refractive index

n20/D 1.389 (lit.)

bp

80.9 °C (lit.)

mp

−25 °C (lit.)

density

0.69 g/mL at 25 °C (lit.)

SMILES string

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

InChI

1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3

InChI key

ZISSAWUMDACLOM-UHFFFAOYSA-N

General description

2,2,3-Trimethylbutane is a highly branched alkane used as fuel additive.


signalword

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

3 - Flammable liquids

wgk

WGK 2

flash_point_f

19.4 °F - closed cup

flash_point_c

-7 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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John E Bercaw et al.
Journal of the American Chemical Society, 130(36), 11988-11995 (2008-08-14)
InI3 catalyzes the reaction of branched alkanes with methanol to produce heavier and more highly branched alkanes, which are more valuable fuels. The reaction of 2,3-dimethylbutane with methanol in the presence of InI3 at 180-200 degrees C affords the maximally
John H Ahn et al.
Angewandte Chemie (International ed. in English), 48(21), 3814-3816 (2009-04-21)
Sailing the seven 'C's: 2,2,3-Trimethylbutane (triptane) selectively forms from dimethyl ether at low temperatures on acid zeolites. Selective methylation at less-substituted carbons, relative rates of methylation to hydrogen transfer as a function of chain size, slow skeletal isomerization, and beta-scission
Selective homologation routes to 2, 2, 3-trimethylbutane on solid acids
Ahn JH, et al.
Angewandte Chemie (International Edition in English), 48, 3814-3816 (2009)



Global Trade Item Number

SKUGTIN
R1158-10KU04061833255575
R2520-2.5KU04061835574759
R1158-2.5KU04061836694203
R2520-20KU04061833655191
R2520-10KU04061833655184
132187-5G04061838728883