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| CAS No.: | 64091-91-4 |
|---|---|
| Name: | 4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C10H13 N3 O2 |
| Molecular Weight: | 207.232 |
| Synonyms: | 4-(Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone;4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone;4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone;4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanone;4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone;4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;NNK;NNK (carcinogen); |
| Density: | 1.15 g/cm3 |
| Melting Point: | 63-65°C |
| Boiling Point: | 423.9 °C at 760 mmHg |
| Flash Point: | 210.2 °C |
| Hazard Symbols: | R26/27/28:Very toxic by inhalation, in contact with skin and if swallowed.; R45:May cause cancer.; |
| Risk Codes: | 26/27/28-45 |
| Safety: | Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. An experimental teratogen. Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS. |
| PSA: | 62.63000 |
| LogP: | 1.65770 |
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Chemistry
Product Name: 4-(N-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone (CAS NO.64091-91-4)
Molecular Formula: C10H13N3O2
Molecular Weight: 207.23g/mol
Mol File: 64091-91-4.mol
Appearance: Off-White Crystals
Melting Point: 63-65°C
Boiling point: 423.9 °C at 760 mmHg
Flash Point: 210.2 °C
Density: 1.15 g/cm3
Stability: Stable. Incompatible with strong oxidizing agents
Surface Tension: 44.8 dyne/cm
Enthalpy of Vaporization: 67.83 kJ/mol
Vapour Pressure: 2.15E-07 mmHg at 25°C
XLogP3-AA: 0.8
H-Bond Donor: 0
H-Bond Acceptor: 5
Product Categories: Nicotine Derivatives; Aromatics
Uses
4-(N-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone (CAS NO.64091-91-4) was present in the highest concentrations in smokeless tobacco out of the nitrosamines identified. Readily produces cancer in rats and hamsters.
Toxicity Data With Reference
| 1. | mma-sat 1 µmol/plate | CRNGDP Carcinogenesis. 4 (1983),305. | ||
| 2. | dnd-rat-ipr 1200 mg/kg/12D-C | CNREA8 Cancer Research. 46 (1986),1280. | ||
| 3. | ipr-mus LD50:1 g/kg | CALEDQ Cancer Letters (Shannon, Ireland). 46 (1989),173. |
Consensus Reports
NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 37 ,1985,p. 209.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program.
Safety Profile
Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. An experimental teratogen. Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
Safety Information of 4-(N-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone (CAS NO.64091-91-4):
Hazard Codes: Xn.gif){kind=small}
Risk Statements: 26/27/28-45-43-40-22
22: Harmful if swallowed
26: Very Toxic by inhalation
27: Very Toxic in contact with skin
28: Very Toxic if swallowed
40: Limited evidence of a carcinogenic effect
43: May cause sensitization by skin contact
45: May cause cancer
Safety Statements: 45-53-36/37
36: Wear suitable protective clothing
37: Wear suitable gloves
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
53: Avoid exposure - obtain special instruction before use
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
4-(N-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone ,its CAS NO. is 64091-91-4,the synonyms is 4-(N-nitrosomethylamino)-1-(3-pyridyl)-1-butanone ; 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone ; 4-(1-Methyl-2-oxohydrazino)-1-(3-pyridinyl)-1-butanone ; 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanon ; 4-(Nitrosoamino-n-methyl)-1-(3-pyridyl)-1-butanone ; 4-(N-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone ; 4-(N-methyl-n-nitrosoamino)-4-(3-pyridyl)-1-butanone .