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Substance Name: Allyl alpha-ionone
RN: 79-78-7
UNII: 8IP66F9ODG
InChIKey: FXCYGAGBPZQRJE-ZHACJKMWSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C16-H24-O

Molecular Weight

  • 232.365
 
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Names and Synonyms

Results Name

  • Allyl alpha-ionone

Name of Substance

  • Allyl alpha-ionone

Synonyms

  • 1,6-Heptadien-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one
  • 4-07-00-00833 (Beilstein Handbook Reference)
  • AI3-36111
  • Allyl alpha-ionone
  • Allyl cyclocitrylideneacetone
  • Allyl-alpha-ionone
  • BRN 3133731
  • Butenyl alpha-cyclocitrylidenemethyl ketone
  • Cetone V
  • Cyclocitrylidenemethyl butenyl ketone, alpha-
  • EINECS 201-225-9
  • FEMA No. 2033
  • Ionone, allyl alpha-
  • UNII-8IP66F9ODG

Systematic Names

  • 1,6-Heptadien-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)hepta-1,6-dien-3-one

Superlist Name

  • Allyl alpha-ionone

Registry Numbers

CAS Registry Number

  • 79-78-7

FDA UNII

  • 8IP66F9ODG

System Generated Number

  • 0000079787

Structure Descriptors

InChI

1S/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,15H,1,6-7,9,12H2,2-4H3/b11-10+

InChIKey

FXCYGAGBPZQRJE-ZHACJKMWSA-N

Smiles

C1([C@@H](C(=CCC1)C)\C=C\C(CCC=C)=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 493, 1973.