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Substance Name: Menthone
RN: 89-80-5
UNII: 9NH5J4V8FN
InChIKey: NFLGAXVYCFJBMK-BDAKNGLRSA-N

Classification Codes

  • Mutation Data
  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C10-H18-O

Molecular Weight

  • 154.2493
 
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Names and Synonyms

Name of Substance

  • Menthone

Synonyms

  • 5-Methyl-2-(1-methylethyl)cyclohexanone, trans-
  • AI3-11106
  • CCRIS 5747
  • Cyclohexan-1-one, 2-isopropyl-5-methyl-, racemic
  • Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-
  • DL-Menthone
  • EINECS 201-941-1
  • EINECS 214-049-2
  • FEMA No. 2667
  • HSDB 1268
  • Menthone
  • Menthone (natural)
  • Menthone racemic
  • Neomenthone
  • p-Menthan-3-one racemic
  • p-Menthan-3-one, trans-
  • p-Menthone
  • trans-Menthan-3-one
  • UNII-9NH5J4V8FN

Systematic Names

  • (dl)-Menthone
  • Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-rel-
  • Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-(+/-)-
  • p-Menthan-3-one, dl-
  • trans-Menthone

Superlist Name

  • Menthone

Registry Numbers

CAS Registry Number

  • 89-80-5

FDA UNII

  • 9NH5J4V8FN

Other Registry Numbers

  • 1074-95-9
  • 17627-49-5
  • 7786-64-3

System Generated Number

  • 0000089805

Structure Descriptors

InChI

1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1

InChIKey

NFLGAXVYCFJBMK-BDAKNGLRSA-N

Smiles

CC(C)[C@@H]1CC[C@@H](C)CC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 600mg/kg (600mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

CARDIAC: CHANGE IN RATE
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 236, Pg. 633, 1953.
mouse LD50 subcutaneous 2180mg/kg (2180mg/kg) BEHAVIORAL: ANTICONVULSANT

BEHAVIORAL: SLEEP
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 77, 1957.
rat LD50 oral 500mg/kg (500mg/kg)   French Demande Patent Document. Vol. #2448856,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.870 (none)   EST
Water Solubility 688 mg/L 25 EXP
Vapor Pressure 0.278 mm Hg 25 EST
Henry's Law Constant 1.59E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.63E-11 cm3/molecule-sec 25 EST

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