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Substance Name: Dihydromethyl-alpha-ionone
RN: 68480-17-1
UNII: 4PH8D3YJET
InChIKey: KUZMAEUMYSXKOU-UHFFFAOYSA-N

Molecular Formula

  • C14-H24-O

Molecular Weight

  • 208.343
 
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Names and Synonyms

Name of Substance

  • Dihydromethyl-alpha-ionone

Synonyms

  • 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone
  • 4-07-00-00267 (Beilstein Handbook Reference)
  • BRN 3260788
  • Dihydromethyl-alpha-ionone
  • EINECS 270-894-7
  • UNII-4PH8D3YJET

Systematic Names

  • 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)pentan-3-one
  • 3-Pentanone, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

Registry Numbers

CAS Registry Number

  • 68480-17-1

FDA UNII

  • 4PH8D3YJET

System Generated Number

  • 0068480171

Structure Descriptors

InChI

1S/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7,13H,5-6,8-10H2,1-4H3

InChIKey

KUZMAEUMYSXKOU-UHFFFAOYSA-N

Smiles

O=C(CC[C@@H]1C(=CCCC1(C)C)C)CC

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. 527, 1979.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 527, 1979.