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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:
464-06-2
Molecular Weight:
100.20
Beilstein:
1730756
EC Number:
207-346-3
MDL number:
MFCD00039846
UNSPSC Code:
12352100
PubChem Substance ID:
24847551
NACRES:
NA.22

Key Documents

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vapor pressure

3.37 psi ( 37.7 °C)

Quality Level

100

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

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General description

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

Signal Word

Danger

Hazard Statements

H225,H304,H315,H336,H410

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)

19.4 °F - closed cup

Flash Point(C)

-7 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCR4856
MKCR5835
MKCS2507
MKCL1749
MKCK6296

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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
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)
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
Yinhui Yang et al.
Analytica chimica acta, 988, 121-129 (2017-09-17)
Triptycene-based materials feature favorable physicochemical properties and unique molecular recognition ability that offer good potential as stationary phases for capillary gas chromatography (GC). Herein, we report the investigation of utilizing a π-extended triptycene material (denoted as TQPP) for GC separations.
Xue Xiong et al.
Journal of chromatography. A, 1567, 191-197 (2018-08-14)
This work describes the separation performance of utilizing hexagonal boron nitride (h-BN) as the stationary phase for capillary gas chromatography (GC). The statically coated h-BN column showed moderate polarity and achieved column efficiencies of 3455 plates/m and 3800 plates/m for
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