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Substance Name: Ionone
RN: 8013-90-9
UNII: QP734LIN1K
InChIKey: UZFLPKAIBPNNCA-BQYQJAHWSA-N

Classification Codes

  • Mutation Data
  • Natural Product

Molecular Formula

  • C13-H20-O

Molecular Weight

  • 192.3
 
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Names and Synonyms

Name of Substance

  • Ionone

Synonyms

  • beta-lonone
  • beta-lonone (natural)
  • Copaiba extract (resinoid) (South American spp. of Copaifera L.)
  • EINECS 232-396-8
  • FEMA No. 2595
  • Ionone
  • Iraldeine
  • Irisone
  • Lonone (mixed isomers)
  • UNII-QP734LIN1K

Systematic Name

  • Ionone

Registry Numbers

CAS Registry Number

  • 8013-90-9

FDA UNII

  • QP734LIN1K

System Generated Number

  • 0008013909

Structure Descriptors

InChI

InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+

InChIKey

UZFLPKAIBPNNCA-BQYQJAHWSA-N

Smiles

CC(=O)\C=C\C1C(=CCCC1(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 2605mg/kg (2605mg/kg) BEHAVIORAL: ANTICONVULSANT

BEHAVIORAL: SLEEP		 Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 77, 1957.
rat LD50 oral 4590mg/kg (4590mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR		 Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.