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Substance Name: 2-Hexenal
RN: 505-57-7
InChIKey: MBDOYVRWFFCFHM-SNAWJCMRSA-N

Note

  • Product of lipid peroxidation in the rat liver; a green odor chemical.

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H10-O

Molecular Weight

  • 98.144
 
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Names and Synonyms

Name of Substance

  • 2-Hexenal

Synonyms

  • 3-01-00-02993 (Beilstein Handbook Reference)
  • AI3-24649
  • alpha,beta-Hexylenaldehyde
  • beta-Propylacrolein
  • BRN 1740988
  • CCRIS 3508
  • EINECS 208-014-0
  • Hex-2-en-1-al
  • Hex-2-enal
  • Hexylenic aldehyde
  • Leaf aldehyde

Systematic Name

  • 2-Hexenal

Superlist Name

  • 2-Hexenal

Registry Numbers

CAS Registry Number

  • 505-57-7

System Generated Number

  • 0000505577

Structure Descriptors

InChI

1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+

InChIKey

MBDOYVRWFFCFHM-SNAWJCMRSA-N

Smiles

CCC/C=C/C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 290mg/kg (290mg/kg)   Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, Oct. 23, 1975Vol. 23OCT1975,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.580 (none)   EST
Water Solubility 5260 mg/L 25 EST
Vapor Pressure 6.600 mm Hg 25 EST
Henry's Law Constant 4.89E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.85E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.