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538132

Sigma-Aldrich

2-Methyl-1-propanol

99.5%

Synonym(s):

Isobutanol, Isobutyl alcohol

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About This Item

Linear Formula:
(CH3)2CHCH2OH
CAS Number:
78-83-1
Molecular Weight:
74.12
Beilstein:
1730878
EC Number:
201-148-0
MDL number:
MFCD00004740
UNSPSC Code:
12352001
PubChem Substance ID:
329758003
NACRES:
NA.21

vapor density

2.55 (vs air)

Quality Level

100

vapor pressure

8 mmHg ( 20 °C)
8.8 mmHg ( 0 °C)

Assay

99.5%

form

liquid

autoignition temp.

801 °F

expl. lim.

10.6 %

impurities

≤0.05% (water)

refractive index

n20/D 1.396 (lit.)

bp

108 °C (lit.)

mp

−108 °C (lit.)

solubility

water: miscible 70 g/L at 20 °C

density

0.803 g/mL at 25 °C (lit.)

SMILES string

CC(C)CO

InChI

1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

InChI key

ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

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General description

2-Methyl-1-propanol, also known as isobutyl alcohol, is an aliphatic alcohol. The densities, viscosities and refractive indices of the binary mixtures of diglyme and 2-methyl-1-propanol have been evaluated. The partition functions and thermodynamic properties of 2-methyl-1-propanol in the vapor phase have been reported. The kinetics of dehydration of isobutyl alcohol to butene over ZSM (Zeolite Socony Mobil)-5 zeolite has been investigated using in situ FTIR (Fourier transform infrared spectroscopy) and GC. The thermochemical characteristics of radicals generated by the removal of hydrogen from 1-butanol have been studied.

Application

2-Methyl-1-propanol may be used in the synthesis of corresponding ester by reacting with acetic acid in the presence of a solid superacid.

Signal Word

Danger

Hazard Statements

H226,H315,H318,H335,H336

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Central nervous system, Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

82.4 °F - closed cup

Flash Point(C)

28 °C - closed cup

Certificates of Analysis (COA)

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Synthesis of Esters from Acetic Acid with Methanol, Ethanol, Propanol, Butanol, and Isobutyl Alcohol Catalyzed by Solid Superacid1.
Hino M and Arata K.
Chemistry Letters (Jpn), 10(12), 1671-1672 (1981)
Densities, viscosities, and refractive indices of the binary mixtures of bis(2-methoxyethyl)ether with 1-propanol, 1-butanol, 2-methyl-1-propanol, and 2-methyl-2-propanol.
Aminabhavi TM and Gopalkrishna B.
Journal of Chemical and Engineering Data, 39(4), 865-867 (1994)
Mechanistic studies of the catalytic dehydration of isobutyl alcohol on NaH-ZSM-5.
Williams C, et al.
J. Chem. Soc., Faraday Trans., 86(20), 3473-3485 (1990)
Jan-Karl Guterl et al.
ChemSusChem, 5(11), 2165-2172 (2012-10-23)
The limited supply of fossil resources demands the development of renewable alternatives to petroleum-based products. Here, biobased higher alcohols such as isobutanol are versatile platform molecules for the synthesis of chemical commodities and fuels. Currently, their fermentation-based production is limited
Arul M Varman et al.
Applied and environmental microbiology, 79(3), 908-914 (2012-11-28)
Global warming and decreasing fossil fuel reserves have prompted great interest in the synthesis of advanced biofuels from renewable resources. In an effort to address these concerns, we performed metabolic engineering of the cyanobacterium Synechocystis sp. strain PCC 6803 to
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