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Substance Name: 2,4-Hexadienal
RN: 142-83-6
UNII: 878K4I6N7T
InChIKey: BATOPAZDIZEVQF-MQQKCMAXSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C6-H8-O

Molecular Weight

  • 96.1282
 
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Names and Synonyms

Name of Substance

  • 2,4-Hexadienal

Synonyms

  • 1,3-Pentadiene-1-carboxaldehyde
  • 2,4-Hexadienal
  • 2,4-Hexadienal, (E,E)-
  • 2-Propyleneacrolein
  • 3-Propyleneacrolein
  • 4-01-00-03545 (Beilstein Handbook Reference)
  • AI3-31142
  • BRN 1698401
  • CCRIS 4030
  • EINECS 205-564-3
  • FEMA No. 3429
  • HSDB 7239
  • Sorbaldehyde
  • Sorbic aldehyde
  • trans,trans-2,4-Hexadienal
  • UNII-878K4I6N7T

Systematic Names

  • 2,4-Hexadienal, (2E,4E)-
  • 2,4-Hexadienal, (E,E)-
  • Hexa-2,4-dienal
  • Sorbaldehyde

Superlist Names

  • 2,4-Hexadienal, (E,E)-
  • 2,4-Hexadienal, trans,trans-
  • Sorbaldehyde

Registry Numbers

CAS Registry Number

  • 142-83-6

FDA UNII

  • 878K4I6N7T

Other Registry Number

  • 4488-48-6

System Generated Number

  • 0000142836

Structure Descriptors

InChI

InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+

InChIKey

BATOPAZDIZEVQF-MQQKCMAXSA-N

Smiles

C\C=C\C=C\C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo skin 2500mg/kg (2500mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 337, 1988.
rabbit LD50 skin 270uL/kg (0.27mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LCLo inhalation 2000ppm/4H (2000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 300mg/kg (300mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 337, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 174 deg C   EXP
log P (octanol-water) 1.370 (none)   EST
Water Solubility 8140 mg/L 25 EST
Vapor Pressure 4.810 mm Hg 25 EST
Henry's Law Constant 9.78E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 6.53E-11 cm3/molecule-sec 25 EST

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