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Substance Name: Methyl dihydrojasmonate
RN: 24851-98-7
UNII: 3GW44CIE3Y
InChIKey: KVWWIYGFBYDJQC-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C13-H22-O3

Molecular Weight

  • 226.3138
 
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Names and Synonyms

Name of Substance

  • Methyl dihydrojasmonate

Synonyms

  • Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester
  • EC 246-495-9
  • EINECS 246-495-9
  • FEMA No. 3408
  • Hedione
  • Kharismal
  • Methyl (2-pentyl-3-oxocyclopentyl)acetate
  • Methyl (3-oxo-2-pentylcyclopentyl)acetate
  • Methyl 3-oxo-2-pentyl-cyclopentaneacetate
  • Methyl 3-oxo-2-pentylcyclopentaneacetate
  • Methyl dihydrojasmonate
  • UNII-3GW44CIE3Y

Systematic Names

  • Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester
  • Methyl 3-oxo-2-pentylcyclopentaneacetate

Superlist Names

  • Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester
  • Methyl dihydrojasmonate

Registry Numbers

CAS Registry Number

  • 24851-98-7

FDA UNII

  • 3GW44CIE3Y

Other Registry Number

  • 128087-96-7

System Generated Number

  • 0024851987

Structure Descriptors

InChI

1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3

InChIKey

KVWWIYGFBYDJQC-UHFFFAOYSA-N

Smiles

C1(C(C(=O)CC1)CCCCC)CC(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo skin 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 85S, 1992.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 85S, 1992.