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Merck

59070

2-Methylbutane

puriss. p.a., ≥99.5% (GC)

Synonym(s):

Isopentane

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About This Item

Linear Formula:
CH3CH2CH(CH3)2
CAS Number:
78-78-4
Molecular Weight:
72.15
UNSPSC Code:
12191502
NACRES:
NA.07
PubChem Substance ID:
329758567
EC Number:
201-142-8
Beilstein/REAXYS Number:
1730723
MDL number:
MFCD00009338
Assay:
≥99.5% (GC)
Technique(s):
GC/GC: suitable
Bp:
30 °C (lit.)
Vapor pressure:
11.17 psi ( 20 °C)

Key Documents

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InChI key

QWTDNUCVQCZILF-UHFFFAOYSA-N

InChI

1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3

SMILES string

CCC(C)C

vapor density

2.6 (vs air)

vapor pressure

11.17 psi ( 20 °C)

grade

puriss. p.a.

assay

≥99.5% (GC)

form

liquid

autoignition temp.

788 °F

expl. lim.

8.3 %

technique(s)

GC/GC: suitable

impurities

≤0.05% water

evapn. residue

≤0.001%

Quality Level

200

bp

30 °C (lit.)

mp

-160 °C

density

0.62 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg, Ba: ≤0.1 mg/kg, Bi: ≤0.1 mg/kg, Ca: ≤0.5 mg/kg, Cd: ≤0.05 mg/kg, Co: ≤0.02 mg/kg, Cr: ≤0.02 mg/kg, Cu: ≤0.02 mg/kg, Fe: ≤0.1 mg/kg, K: ≤0.5 mg/kg, Li: ≤0.1 mg/kg, Mg: ≤0.1 mg/kg, Mn: ≤0.02 mg/kg, Mo: ≤0.1 mg/kg, Na: ≤0.5 mg/kg, Ni: ≤0.02 mg/kg, Pb: ≤0.1 mg/kg, Sr: ≤0.1 mg/kg, Zn: ≤0.1 mg/kg

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General description

2-Methylbutane (Isopentane) is a branched chain alkane. It undergoes bromination at 75°C to afford 2-bromo-2-methyl butane. Its Raman spectra in vapor and solid phases at low temperatures (-196°C) have been investigated.

Application

2-Methylbutane may be used in the following studies:
  • As starting reagent for the synthesis of isoprene.
  • Preparation of C5 and C6 alkyl nitrates.

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system

supp_hazards

EUH066

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

-59.8 °F - closed cup

flash_point_c

-51 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
BCBS3409V

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Johnson AW.
Invitation to Organic Chemistry., 50-54 (1999)
Johnson AW.
Invitation to Organic Chemistry., 338-338 (1999)
Eagleson M.
Concise Encyclopedia Chemistry, 560-560 (1994)
Rotational Isomerism and Thermodynamic Functions of 2-Methylbutane and 2, 3-Dimethylbutane. Vapor Heat Capacity and Heat of Vaporization of 2-Methylbutane.
Scott DW, et al.
Journal of the American Chemical Society, 73(4), 1707-1712 (1951)
Formation of alkyl nitrates from the reaction of branched and cyclic alkyl peroxy radicals with NO.
Atkinson R, et al.
International Journal of Chemical Kinetics, 16(9), 1085-1101 (1984)
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