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| Name |
4-(Methylnitrosamino)-2-butanone |
EINECS | N/A |
| CAS No. | 89367-15-7 | Density | 1.12g/cm3 |
| PSA | 58.53000 | LogP | 0.66990 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H10 N2 O2 | Boiling Point | 196.7°C at 760 mmHg |
| Molecular Weight | 130.17 | Flash Point | 72.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by subcutaneous route. Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Butanone, 4-[(nitrosomethyl)amino]- (9CI);N-nitrosomethyl(3-oxobutyl)amine |
4-(Methylnitrosamino)-2-butanone Chemical Properties
The Molecular Structure of 4-(Methylnitrosamino)-2-butanone (CAS NO.89367-15-7):
Molecular Formula: C5H10N2O2
Molecular Weight: 130.145100 g/mol
IUPAC: 4-(nitrosomethylamino)butan-2-one
Index of Refraction: 1.484
Molar Refractivity: 33.21 cm3
Molar Volume: 115.8 cm3
Surface Tension: 39.6 dyne/cm
Density: 1.12 g/cm3
Flash Point: 72.7 °C
Enthalpy of Vaporization: 43.29 kJ/mol
Boiling Point: 196.7 °C at 760 mmHg
Vapour Pressure: 0.394 mmHg at 25°C
InChI
InChI=1/C5H10N2O2/c1-5(8)2-3-6-4-7-9/h6H,2-4H2,1H3
Smiles
CC(CCNCN=O)=O
Classification Code: Mutation data/Tumor data.
4-(Methylnitrosamino)-2-butanone Toxicity Data With Reference
| 1. | msc-ham:lng 700 µmol/L | 50EYAN Structure-Activity Correlation as a Predictive Tool in Toxicology Golberg, L., ed.,Washington, DC.: Hemisphere Publishing Corp.,1983,241. | ||
| 2. | mma-ham:lng 600 µmol/L | MUREAV Mutation Research. 163 (1986),303. | ||
| 3. | scu-ham LD50:705 mg/kg | CNREA8 Cancer Research. 43 (1983),4885. |
4-(Methylnitrosamino)-2-butanone Safety Profile
Moderately toxic by subcutaneous route. Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
4-(Methylnitrosamino)-2-butanone Specification
4-(Methylnitrosamino)-2-butanone (CAS NO.89367-15-7) is also called as N-Nitrosomethyl(3-oxobutyl)amine ; CCRIS 470 ; M-3-OB ; N-Nitrosomethyl(3-oxobutyl)amine ; 2-Butanone, 4-((nitrosomethyl)amino)- (9CI) ; 2-Butanone, 4-(methylnitrosamino)- .
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