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Substance Name: Dihydrocarvone
RN: 7764-50-3
UNII: YQS5CW1O1J
InChIKey: AZOCECCLWFDTAP-UHFFFAOYSA-N

Note

  • Found in caraway oil.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H16-O

Molecular Weight

  • 152.235
 
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Names and Synonyms

Results Name

  • Dihydrocarvone

Name of Substance

  • Dihydrocarvone, (+)-

Synonyms

  • 2-Methyl-5-(1-methylethenyl)cyclohexanone
  • Dihydrocarvone
  • EINECS 231-857-0
  • FEMA No. 3565
  • p-Menth-8-en-2-one
  • UNII-YQS5CW1O1J

Systematic Names

  • 2-Methyl-5-(1-methylvinyl)cyclohexan-1-one
  • Cyclohexanone, 2-methyl-5-(1-methylethenyl)-
  • p-Menth-8-en-2-one

Registry Numbers

CAS Registry Number

  • 7764-50-3

FDA UNII

  • YQS5CW1O1J

System Generated Number

  • 0007764503

Structure Descriptors

InChI

1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3

InChIKey

AZOCECCLWFDTAP-UHFFFAOYSA-N

Smiles

C1[C@@H](CC[C@@H](C1=O)C)C(C)=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 2900mg/kg (2900mg/kg) BEHAVIORAL: ANTICONVULSANT

BEHAVIORAL: SLEEP
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 77, 1957.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 665, 1980.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 665, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.85 (none)   EXP
Water Solubility 1020 mg/L 15 EXP
Vapor Pressure 0.219 mm Hg 25 EST
Henry's Law Constant 1.40E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.99E-11 cm3/molecule-sec 25 EST

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