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Substance Name: (+)-Fenchone
RN: 4695-62-9
UNII: S436YKU51N
InChIKey: LHXDLQBQYFFVNW-XCBNKYQSSA-N

Note

  • ChEBI: A fenchone that has 1S,4R stereochemistry. A colourless, oily liquid found in fennel oil, it is used in perfumery and as flavour in foods.

Molecular Formula

  • C10-H16-O

Molecular Weight

  • 152.2354
 
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Names and Synonyms

Results Name

  • (+)-Fenchone

Name of Substance

  • D-Fenchone

Synonyms

  • (+)-Fenchone
  • (1R)-1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one
  • 1,3,3-Trimethyl-2-norbornanone, D-
  • 1,3,3-Trimethyl-2-norcamphanone, D-
  • 1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one
  • 1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one, (1S)-
  • 2-Fenchanone, D-
  • 2-Norbornanone, 1,3,3-trimethyl-, (1S,4R)-(+)-
  • Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, (1S)-
  • d-1,3,3-Trimethyl-2-norbornanone
  • d-1,3,3-Trimethyl-2-norcamphanone
  • D-Fenchone
  • d-Fenchone (natural)
  • EINECS 225-160-0
  • FEMA No. 2479
  • UNII-S436YKU51N

Systematic Names

  • (1S)-1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one
  • 2-Norbornanone, 1,3,3-trimethyl-, (1R,4S)-(+)-
  • Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, (1S,4R)-

Superlist Name

  • Fenchone, D-

Registry Numbers

CAS Registry Number

  • 4695-62-9

FDA UNII

  • S436YKU51N

Other Registry Numbers

  • 1212434-47-3
  • 1220042-99-8
  • 1276016-83-1
  • 1310540-18-1
  • 1325056-25-4

System Generated Number

  • 0004695629

Structure Descriptors

InChI

1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1

InChIKey

LHXDLQBQYFFVNW-XCBNKYQSSA-N

Smiles

C[C@]12CC[C@H](C1)C(C)(C)C2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 6160mg/kg (6160mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 6.1 deg C   EXP
log P (octanol-water) 3.040 (none)   EST
Water Solubility 2150 mg/L 25 EXP
Atmospheric OH Rate Constant 1.19E-11 cm3/molecule-sec 25 EST

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