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Substance Name: Citral
RN: 5392-40-5
UNII: T7EU0O9VPP
InChIKey: WTEVQBCEXWBHNA-JXMROGBWSA-N

Note

  • Vitamin A antagonist; oxygenated monoterpene; inhibits cytosolic dehydrogenases.

Molecular Formula

  • C10-H16-O

Molecular Weight

  • 152.2354
 

Classification Codes

  • Mutation Data
  • Natural Product
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data
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Names and Synonyms

Name of Substance

  • 2,6-Octadienal, 3,7-dimethyl-
  • 3,7-Dimethyl-2,6-octadienal
  • Citral

Synonyms

  • 2,6-Dimethyloctadien-2,6-al-8
  • 2,6-Octadienal, 3,7-dimethyl-
  • 3,7-Dimethyl-1,2,6-octadienal
  • 3,7-Dimethyl-2,6-octadienal
  • 3-01-00-03053 (Beilstein Handbook Reference)
  • AI3-01011
  • BRN 1721871
  • Caswell No. 221B
  • CCRIS 1043
  • Citral
  • Citral (natural)
  • EC 226-394-6
  • EINECS 226-394-6
  • EPA Pesticide Chemical Code 040510
  • FEMA No. 2303
  • FEMA Number 2303
  • HSDB 993
  • Lemsyn GB
  • NCI-C56348
  • NSC 6170
  • UNII-T7EU0O9VPP

Systematic Names

  • 2,6-Octadienal, 3,7-dimethyl-
  • 3,7-Dimethyl-trans-2,6-octadienal
  • Citral

Superlist Names

  • 2,6-Octadienal, 3,7-dimethyl-
  • Citral

Registry Numbers

CAS Registry Number

  • 5392-40-5

FDA UNII

  • T7EU0O9VPP

Other Registry Numbers

  • 1392408-16-0
  • 250599-19-0
  • 37350-34-8
  • 433282-33-8
  • 8022-94-4
  • 96680-15-8

System Generated Number

  • 0005392405

Structure Descriptors

InChI

1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+

InChIKey

WTEVQBCEXWBHNA-JXMROGBWSA-N

Smiles

C(=C\C=O)(/CC/C=C(/C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 6gm/kg (6000mg/kg)   Biochemical Journal. Vol. 34, Pg. 1196, 1940.
rabbit LD50 skin 2250mg/kg (2250mg/kg)   Food and Chemical Toxicology. Vol. 25, Pg. 505, 1987.
rat LD50 intraperitoneal 460mg/kg (460mg/kg)   Journal of Reproduction and Fertility. Vol. 55, Pg. 347, 1979.
rat LD50 oral 4960mg/kg (4960mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.00E+01 deg C   EXP
Boiling Point 227 deg C   EXP
log P (octanol-water) 3.450 (none)   EST
Water Solubility 1340 mg/L 37 EXP
Vapor Pressure 0.091 mm Hg 25 EST
Henry's Law Constant 4.35E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.36E-10 cm3/molecule-sec 25 EST

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