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146641

Sigma-Aldrich

3-Nitro-2-butanol, mixture of isomers

98%

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About This Item

Linear Formula:
CH3CH(NO2)CH(OH)CH3
CAS Number:
6270-16-2
Molecular Weight:
119.12
EC Number:
228-447-9
MDL number:
MFCD00007396
UNSPSC Code:
12352100
PubChem Substance ID:
24848791
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.441 (lit.)

bp

55 °C/0.5 mmHg (lit.)

density

1.1 g/mL at 25 °C (lit.)

functional group

amine
hydroxyl
nitro

SMILES string

CC(O)C(C)[N+]([O-])=O

InChI

1S/C4H9NO3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3

InChI key

OJVOGABFNZDOOZ-UHFFFAOYSA-N

General description

3-Nitro-2-butanol undergoes oxidation catalyzed by nitroalkane oxidase enzyme isolated from extracts of Fusarium oxysporum.

Application

3-Nitro-2-butanol was used to study the mechanism of oxidation of methylethylketoxime and acetoxime in the liver microsomes from rats, mice and humans.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

195.8 °F - closed cup

Flash Point(C)

91 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBF6834V
S26933V
S26933
07002TC
16226JN

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T Kido et al.
Journal of bacteriology, 133(1), 53-58 (1978-01-01)
A nitroalkane-oxidizing enzyme, which was inducibly formed by addition of nitroethane to the medium was purified to homogeneity from an extract of Fusarium oxysporum (IFO 5942) with an overall yield of about 20%. The enzyme catalyzed the oxidative denitrification of
W Völkel et al.
Toxicological sciences : an official journal of the Society of Toxicology, 47(2), 144-150 (1999-04-30)
Acetoxime and methylethyl ketoxime (MEKO) are tumorigenic in rodents, inducing liver tumors in male animals. The mechanisms of tumorigenicity for these compounds are not well defined. Oxidation of the oximes to nitronates of secondary-nitroalkanes, which are mutagenic and tumorigenic in

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