Product Name

  • Name

    4-oxo-4-(3-pyridinebutanal)

  • EINECS
  • CAS No. 76014-80-7
  • Article Data8
  • CAS DataBase
  • Density 1.129g/cm3
  • Solubility
  • Melting Point
  • Formula C9H9 N O2
  • Boiling Point 327.8°C at 760 mmHg
  • Molecular Weight 163.176
  • Flash Point 156.4°C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 76014-80-7 (4-oxo-4-(3-pyridinebutanal))
  • Hazard Symbols
  • Synonyms 4-Oxo-1-(3-pyridyl)-1-butanone;4-Oxo-4-(3-pyridyl)butanal
  • PSA 47.03000
  • LogP 1.24340

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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