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Substance Name: Jasmone
RN: 488-10-8
UNII: RC4W0G9YUK
InChIKey: XMLSXPIVAXONDL-PLNGDYQASA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C11-H16-O

Molecular Weight

  • 164.2464
 
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Names and Synonyms

Name of Substance

  • Jasmone

Synonyms

  • (Z)-Jasmone
  • 2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)-
  • 3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one, (Z)-
  • 3-Methyl-2-(cis-2-penten-1-yl)-2-cyclopenten-1-one
  • 4-07-00-00337 (Beilstein Handbook Reference)
  • BRN 1907713
  • EINECS 207-668-4
  • FEMA No. 3196
  • HSDB 8273
  • Jasmone
  • UNII-RC4W0G9YUK

Systematic Names

  • 2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)-
  • 2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-penten-1-yl-
  • 2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-
  • 3-Methyl-2-pent-2-enylcyclopent-2-enone

Superlist Name

  • Jasmone

Registry Numbers

CAS Registry Number

  • 488-10-8

FDA UNII

  • RC4W0G9YUK

Other Registry Number

  • 4907-07-7

System Generated Number

  • 0000488108

Structure Descriptors

InChI

InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-

InChIKey

XMLSXPIVAXONDL-PLNGDYQASA-N

Smiles

CC\C=C/CC1=C(C)CCC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 845, 1979.
rat LD50 oral 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 845, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 258 deg C   EXP
log P (octanol-water) 3.550 (none)   EST
Atmospheric OH Rate Constant 1.60E-10 cm3/molecule-sec 25 EST

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