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Cas Database |
| Name |
4-OXO-4-(3-PYRIDYL)BUTANAL |
EINECS | N/A |
| CAS No. | 76014-80-7 | Density | 1.129g/cm3 |
| PSA | 47.03000 | LogP | 1.24340 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H9 N O2 | Boiling Point | 327.8°C at 760 mmHg |
| Molecular Weight | 163.176 | Flash Point | 156.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Oxo-1-(3-pyridyl)-1-butanone;4-Oxo-4-(3-pyridyl)butanal |
Article Data | 8 |
4-OXO-4-(3-PYRIDYL)BUTANAL Chemical Properties
Product Name: 4-Oxo-4-(3-pyridyl)butanal (CAS NO.76014-80-7)
Molecular Formula: C9H9NO2
Molecular Weight: 163.1733 g/mol
Mol File: 76014-80-7.mol
Appearance: Yellow Oil
Boiling point: 327.8 °C at 760 mmHg
Flash Point: 156.4 °C
Density: 1.129 g/cm3
Surface Tension: 45.3 dyne/cm
Enthalpy of Vaporization: 57.01 kJ/mol
Vapour Pressure: 0.000198 mmHg at 25°C
XLogP3-AA: -0.2
H-Bond Donor: 0
H-Bond Acceptor: 3
Product Categories: Various Metabolites and Impurities; Metabolites; Nicotine Derivatives
4-OXO-4-(3-PYRIDYL)BUTANAL Uses
4-Oxo-4-(3-pyridyl)butanal (CAS NO.76014-80-7) is a metabolite of the tobacco-specific nitrosamine.
4-OXO-4-(3-PYRIDYL)BUTANAL Toxicity Data With Reference
| 1. | dnd-rat-lvr 1 mmol/L | CRNGDP Carcinogenesis. 13 (1992),1447. | ||
| 2. | uns-ham-lng 500 µmol/L | MUREAV Mutation Research. 240 (1990),25. |
4-OXO-4-(3-PYRIDYL)BUTANAL Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
4-OXO-4-(3-PYRIDYL)BUTANAL Specification
4-Oxo-4-(3-pyridyl)butanal ,its CAS NO. is 76014-80-7,the synonyms is 4-Oxo-4-(3-pyridinebutanal) ; BRN 0907964 ; gamma-Oxo-3-pyridinebutanal ; 3-Pyridinebutanal, gamma-oxo- .
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