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294829

Sigma-Aldrich

2-Methyl-1-propanol

anhydrous, 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:
57648375
NACRES:
NA.21

grade

anhydrous

Quality Level

100

vapor density

2.55 (vs air)

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

<0.003% water
<0.005% water (100 mL pkg)

evapn. residue

<0.0005%

refractive index

n20/D 1.396 (lit.)

bp

108 °C (lit.)

mp

−108 °C (lit.)

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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Application

Isobutyl alcohol is a water-soluble aliphatic alcohol that is widely used as a solvent in organic synthesis. It is used in the preparation of vanadium phosphate catalysts for the efficient dehydration of xylose into furfural and selective oxidation of n-butane to maleic anhydride.

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR1206
SHBQ8289
SHBP7066
SHBM4836
SHBL4318

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Determination of inorganic phosphate.
Martin JB and Doty DM.
Analytical Chemistry, 21(8), 965-967 (1949)
Diffusion in the Three Component Liquid System Methyl Alcohol-n-Propyl Alcohol-Isobutyl Alcohol.
Shuck FO and Toor HL.
The Journal of Physical Chemistry, 67(3), 540-545 (1963)
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
Aiqin Shi et al.
Metabolic engineering, 16, 1-10 (2012-12-19)
Isobutanol is an excellent alternative biofuel. Fermentative production of isobutanol had been realized in several microorganisms by combining branched-chain amino acids synthetic pathway and Ehrlich pathway. In contrast to using plasmid overexpression and inducible promoters, genetically stable Escherichia coli strains
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