Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: trans-2-Hexenal
RN: 6728-26-3
UNII: 69JX3AIR1I
InChIKey: MBDOYVRWFFCFHM-SNAWJCMRSA-N

Note

  • Product of lipid peroxidation in the rat liver; a green odor chemical; do not confuse with the hexabarbital synonym, hexenal.

Molecular Formula

  • C6-H10-O

Molecular Weight

  • 98.144
 

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • trans-2-Hexenal

Name of Substance

  • 2-Hexenal, (2E)-

Synonyms

  • 2-trans-Hexenal
  • 4-01-00-03468 (Beilstein Handbook Reference)
  • AI3-35157
  • beta-Propyl acrolein
  • BRN 1699684
  • CCRIS 4565
  • EINECS 229-778-1
  • FEMA No. 2560
  • trans-2-Hexenal (leaf aldehyde)
  • trans-2-Hexenal (leaf aldehyde) (natural)
  • UNII-69JX3AIR1I

Systematic Names

  • 2-Hexenal, (2E)-
  • 2-Hexenal, (E)-
  • trans-Hex-2-enal

Registry Numbers

CAS Registry Number

  • 6728-26-3

FDA UNII

  • 69JX3AIR1I

System Generated Number

  • 0006728263

Structure Descriptors

InChI

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

InChIKey

MBDOYVRWFFCFHM-SNAWJCMRSA-N

Smiles

C(\CCC)=C\C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Food and Cosmetics Toxicology. Vol. 9, Pg. 775, 1971.
mouse LD50 oral 685mg/kg (685mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yukagaku. Oil Chemistry. Vol. 26, Pg. 169, 1977.
rabbit LD50 skin 600mg/kg (600mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 453, 1975.
rat LD50 intraperitoneal 180mg/kg (180mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Food and Cosmetics Toxicology. Vol. 9, Pg. 775, 1971.
rat LD50 oral 780mg/kg (780mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Food and Cosmetics Toxicology. Vol. 9, Pg. 775, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 146.5 deg C   EXP
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 9.88E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.40E-11 cm3/molecule-sec 23 EXP

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