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Merck
CN

58450

Sigma-Aldrich

2-Methyl-1-propanol

puriss. p.a., ACS reagent, ≥99.5% (GC)

Synonym(s):

Isobutanol, Isobutyl alcohol

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About This Item

Linear Formula:
(CH3)2CHCH2OH
CAS Number:
Molecular Weight:
74.12
Beilstein:
1730878
EC Number:
MDL number:
UNSPSC Code:
12352001
PubChem Substance ID:
Assay:
≥99.5% (GC)
Technique(s):
GC/GC: suitable
Bp:
108 °C (lit.)
Vapor pressure:
8 mmHg ( 20 °C)
8.8 mmHg ( 0 °C)
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grade

ACS reagent
puriss. p.a.

vapor density

2.55 (vs air)

vapor pressure

8 mmHg ( 20 °C)
8.8 mmHg ( 0 °C)

Assay

≥99.5% (GC)

autoignition temp.

801 °F

expl. lim.

10.6 %

technique(s)

GC/GC: suitable

impurities

≤0.001% peroxides (as H2O2)
≤0.0044% free acid (as C3H7COOH)
≤0.01% aldehyde (as C3H7CHO)
≤0.1% water
<0.02% ketone (as C2H5COCH3)

evapn. residue

≤0.001%

refractive index

n20/D 1.396 (lit.)
n20/D 1.396

bp

108 °C (lit.)

mp

−108 °C (lit.)

density

0.803 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: ≤1.0 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sr: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

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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Signal Word

Danger

Hazard Statements

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

Regulatory Information

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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)
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
Pedram Fatehi
Biotechnology progress, 29(2), 297-310 (2013-01-09)
In this review, the recent advancements and technical challenges associated with the production of ethanol, butanol, and isobutanol via bioconversion routes from celluloses of woody materials are reviewed. Physicochemical processes, e.g. steam explosion, seem to be the most viable process
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

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