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Merck
CN

294829

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
UNSPSC Code:
12352001
NACRES:
NA.21
PubChem Substance ID:
57648375
EC Number:
201-148-0
Beilstein/REAXYS Number:
1730878
MDL number:
MFCD00004740
Assay:
99.5%
Grade:
anhydrous
Vapor pressure:
8 mmHg ( 20 °C), 8.8 mmHg ( 0 °C)

Key Documents

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InChI key

ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

InChI

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

SMILES string

CC(C)CO

grade

anhydrous

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%

Quality Level

100

mp

−108 °C (lit.)

density

0.803 g/mL at 25 °C (lit.)

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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.

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system, Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

82.4 °F - closed cup

flash_point_c

28 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBT1457
SHBS6918
SHBR1206
SHBQ8289
SHBP7066

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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)
Determination of inorganic phosphate.
Martin JB and Doty DM.
Analytical Chemistry, 21(8), 965-967 (1949)
Antonino Baez et al.
Applied microbiology and biotechnology, 90(5), 1681-1690 (2011-05-07)
Promising approaches to produce higher alcohols, e.g., isobutanol, using Escherichia coli have been developed with successful results. Here, we translated the isobutanol process from shake flasks to a 1-L bioreactor in order to characterize three E. coli strains. With in
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
Gabriel M Rodriguez et al.
Nature chemical biology, 10(4), 259-265 (2014-03-13)
To expand the capabilities of whole-cell biocatalysis, we have engineered Escherichia coli to produce various esters. The alcohol O-acyltransferase (ATF) class of enzyme uses acyl-CoA units for ester formation. The release of free CoA upon esterification with an alcohol provides
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