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Merck
CN

39740

2,2-Dimethylbutane

≥99.0% (GC)

Synonym(s):

Neohexane

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About This Item

Linear Formula:
CH3CH2C(CH3)3
CAS Number:
75-83-2
Molecular Weight:
86.18
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57649904
EC Number:
200-906-8
Beilstein/REAXYS Number:
1730736
MDL number:
MFCD00009321

Key Documents

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InChI key

HNRMPXKDFBEGFZ-UHFFFAOYSA-N

InChI

1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3

SMILES string

CCC(C)(C)C

vapor density

2.97 (vs air)

vapor pressure

5.35 psi ( 20 °C)

assay

≥99.0% (GC)

autoignition temp.

797 °F

expl. lim.

~7.7 %

bp

50 °C (lit.)

mp

−100 °C (lit.)

density

0.649 g/mL at 25 °C (lit.)

storage temp.

2-8°C

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General description

2,2-Dimethylbutane (Neohexane) is an acyclic alkane. It is an isomeric form of hexane. Its Research Octane Number (RON) has been reported to be 91.8. Oxidation of 2,2-dimethylbutane at low temperatures has been studied in a jet-stirred reactor (JSR). Pt-Re catalyzed reactions of 2,2-dimethylbutane (neohexane) has been studied.

Application

2,2-Dimethylbutane may be employed as probe to investigate the nature of possible active sites in supported metal catalysts.

signalword

Danger

Hazard Classifications

Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

-20.2 °F - closed cup

flash_point_c

-29 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCBD7517V
MKBZ5781V
BCBM5706V
BCBL8931V
BCBL6531V

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The use of 2,2-dimethylbutane (neohexane) as a probe molecule of metal catalysts.
Burch R and Paal Z.
Applied Catalysis A: General, 114(1), 9-33 (1994)
Zhandong Wang et al.
The journal of physical chemistry. A, 118(30), 5573-5594 (2014-07-10)
The low-temperature oxidation of the five hexane isomers (n-hexane, 2-methyl-pentane, 3-methyl-pentane, 2,2-dimethylbutane, and 2,3-dimethylbutane) was studied in a jet-stirred reactor (JSR) at atmospheric pressure under stoichiometric conditions between 550 and 1000 K. The evolution of reactant and product mole fraction
Hydrogenolysis of 2,2-dimethylbutane and n-hexane over supported ruthenium, nickel, cobalt, and iron.
Machiels CJ and Anderson RB.
J. Catal., 58(2), 268-275 (1979)
The effect of alloying Pt with Re on the intermediates in hydrocarbon reactions: Reactions of 2, 2-dimethylbutane.
Botman MJP, et al.
J. Catal., 116(2), 467-479 (1989)
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
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