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33064

Sigma-Aldrich

2-Methyl-1-propanol

puriss. p.a., ACS reagent, reag. Ph. Eur., ≥99% (GC)

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Synonym(s):
Isobutanol, Isobutyl alcohol
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:
329754451

grade

ACS reagent
puriss. p.a.

Quality Level

200

Agency

reag. Ph. Eur.

vapor density

2.55 (vs air)

vapor pressure

8 mmHg ( 20 °C)
8.8 mmHg ( 0 °C)

Assay

≥99% (GC)

form

liquid

autoignition temp.

801 °F

expl. lim.

10.6 %

impurities

≤0.001% non-volatile matter
≤0.001% peroxides (as H2O2)
≤0.004% free acid (as C3H7COOH)
≤0.005% iso-butyraldehyd (GC)
≤0.005% n-butyraldehyde (GC)
≤0.02% butanone
≤0.05% 2-butanol
≤0.05% water (Karl Fischer)
≤0.1% 1-butanol

refractive index

n20/D 1.3950-1.3960
n20/D 1.396 (lit.)

bp

108 °C (lit.)

mp

−108 °C (lit.)

density

0.803 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg
B: ≤0.02 mg/kg
Ba: ≤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
Mg: ≤0.1 mg/kg
Mn: ≤0.02 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sn: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

SMILES string

CC(C)CO

suitability

passes test for reaction against H2SO4

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 (Isobutyl alcohol) is widely used organic solvent.

Application

2-Methyl-1-propanol (Isobutyl alcohol) may be used to prepare the isobutyl alcohol-benzene solution for use in the quantification of inorganic phosphates. It may be used for the estimation of phosphate (inorganic phosphorous) by a colorimetric method.

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

WGK

WGK 1

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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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)
Determination of inorganic phosphate.
Martin JB and Doty DM.
Analytical Chemistry, 21(8), 965-967 (1949)
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
Dawid Brat et al.
FEMS yeast research, 13(2), 241-244 (2013-01-03)
Simultaneous overexpression of an optimized, cytosolically localized valine biosynthesis pathway together with overexpression of xylose isomerase XylA from Clostridium phytofermentans, transaldolase Tal1 and xylulokinase Xks1 enabled recombinant Saccharomyces cerevisiae cells to complement the valine auxotrophy of ilv2,3,5 triple deletion mutants
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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