Product Name

  • Name

    (2E,4E)-6-oxohexa-2,4-dienoic acid

  • EINECS
  • CAS No. 88973-46-0
  • Article Data2
  • CAS DataBase
  • Density 1.181g/cm3
  • Solubility
  • Melting Point
  • Formula C6H6O3
  • Boiling Point 300°Cat760mmHg
  • Molecular Weight 126.12
  • Flash Point 149.4°C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk Codes
  • Molecular Structure Molecular Structure of 88973-46-0 ((2E,4E)-6-oxohexa-2,4-dienoic acid)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

6-Oxo-trans,trans-2,4-hexadienoic acid Chemical Properties

IUPAC Name: (2E,4E)-6-Oxohexa-2,4-dienoic acid
Synonyms of 6-Oxo-trans,trans-2,4-hexadienoic acid (CAS NO.88973-46-0): 6-Oxo-2,4-hexadienoic acid (E,E)- ; 2,4-Hexadienoic acid, 6-oxo-, (E,E)-
CAS NO: 88973-46-0
Molecular Formula: C6H6O3
Molecular Weight: 126.11
Molecular Structure:
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 43.37 Å2
Index of Refraction: 1.505
Molar Refractivity: 31.71 cm3
Molar Volume: 106.7 cm3
Surface Tension: 44.6 dyne/cm
Density: 1.181 g/cm3
Flash Point: 149.4 °C
Enthalpy of Vaporization: 59.4 kJ/mol
Boiling Point: 300 °C at 760 mmHg
Vapour Pressure: 0.000272 mmHg at 25°C
SMILES: O=C\C=C\C=C\C(=O)O
InChI: InChI=1/C6H6O3/c7-5-3-1-2-4-6(8)9/h1-5H,(H,8,9)/b3-1+,4-2+
InChIKey: MGCBXZGOSMSZBJ-ZPUQHVIOBS
Std. InChI: InChI=1S/C6H6O3/c7-5-3-1-2-4-6(8)9/h1-5H,(H,8,9)/b3-1+,4-2+
Std. InChIKey: MGCBXZGOSMSZBJ-ZPUQHVIOSA-N

6-Oxo-trans,trans-2,4-hexadienoic acid Toxicity Data With Reference

1.    

msc-ham-lng 32 µmol/L

     EMMUEG    Environmental and Molecular Mutagenesis. 24 (1994),112.

6-Oxo-trans,trans-2,4-hexadienoic acid Safety Profile

Mutation data reported. When 6-Oxo-trans,trans-2,4-hexadienoic acid (CAS NO.88973-46-0) is heated to decomposition, it emits acrid smoke and irritating vapors.

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