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Substance Name: 3-Hexenal, (3Z)-
RN: 6789-80-6
UNII: 6V54TKA96C
InChIKey: GXANMBISFKBPEX-ARJAWSKDSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C6-H10-O

Molecular Weight

  • 98.144
 
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Names and Synonyms

Name of Substance

  • 3-Hexenal, (3Z)-

Synonyms

  • 3-(Z)-Hexenal
  • 4-01-00-03469 (Beilstein Handbook Reference)
  • BRN 1720171
  • cis-3-Hexenal
  • cis-beta,gamma-Hexylenic aldehyde
  • EINECS 229-854-4
  • FEMA No. 2561
  • UNII-6V54TKA96C

Systematic Names

  • (Z)-Hex-3-enal
  • 3-Hexenal, (3Z)-
  • 3-Hexenal, (Z)-

Superlist Name

  • 3-Hexenal, cis-

Registry Numbers

CAS Registry Number

  • 6789-80-6

FDA UNII

  • 6V54TKA96C

System Generated Number

  • 0006789806

Structure Descriptors

InChI

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-

InChIKey

GXANMBISFKBPEX-ARJAWSKDSA-N

Smiles

CC\C=C/CC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3700mg/kg (3700mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 709, 1982.
rat LD50 oral 1560mg/kg (1560mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 709, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 121 deg C   EXP
log P (octanol-water) 1.580 (none)   EST
Atmospheric OH Rate Constant 7.90E-11 cm3/molecule-sec 25 EST

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