146641
3-Nitro-2-butanol, mixture of isomers
98%
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About This Item
Fórmula lineal:
CH3CH(NO2)CH(OH)CH3
Número de CAS:
Peso molecular:
119.12
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Productos recomendados
Quality Level
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk_germany
WGK 3
flash_point_f
195.8 °F - closed cup
flash_point_c
91 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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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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