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82059

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2-Methyl-1-propanol

analytical standard

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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
PubChem Substance ID:
329769231
NACRES:
NA.24

grade

analytical standard

Quality Level

100

vapor density

2.55 (vs air)

vapor pressure

8 mmHg ( 20 °C)
8.8 mmHg ( 0 °C)

Assay

≥99.8% (GC)

autoignition temp.

801 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

10.6 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

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.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

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 can be obtained via hydroformylation of alkenes with fuel gas mixture in particular, carbon monoxide being the main reactant.
2-Methyl-1-propanol is a potential biofuel, which can be obtained as a major product in the yeast, Saccharomyces cerevisiae using glycine as a substrate through the glycine degradation pathway. It can also be obtained from the disaccharide, cellobionic acid (CBA) in Escherichia coli, via the ascB gene, which is primarily responsible for the CBA metabolism in E.coli.

Application

2-Methyl-1-propanol may be used as an analytical reference standard for the quantification of the analyte in environmental samples using gas chromatography-optical fiber (GC-OF) technique and the obtained analytical results were compared with gas chromatography-flame ionization detector (GC-FID) technique. It may also be used as an analytical reference standard for the quantification of the analyte as decomposition products of alkyl nitrites in biological fluids using capillary gas chromatography (GC) with cryogenic oven trapping.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Signal Word

Danger

Hazard Classifications

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

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

危险化学品

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SPR Catalysis V26 (2014)
A novel pathway to produce butanol and isobutanol in Saccharomyces cerevisiae
Branduardi P, et al.
Biotechnology for Biofuels, 6(1), 68-68 (2013)
Sensitive analysis of alkyl alcohols as decomposition products of alkyl nitrites in human whole blood and urine by headspace capillary GC with cryogenic oven trapping
Watanabe-Suzuki K, et al.
Journal of Chromatographic Science, 41(2), 63-66 (2003)
Isobutanol production from cellobionic acid in Escherichia coli
Desai HS, et al.
Microbial cell factories, 14(1), 52-52 (2015)
Comparison of a gas chromatography-optical fibre (GC-OF) detector with a gas chromatography-flame ionization detector (GC-FID) for determination of alcoholic compounds in industrial atmospheres
Silva BIL, et al.
Talanta, 76(2), 395-399 (2008)
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