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Substance Name: alpha-Ionol
RN: 25312-34-9
UNII: 4QI2W5Y52K
InChIKey: PWDOJWCZWKWKSE-BQYQJAHWSA-N

Molecular Formula

  • C13-H22-O

Molecular Weight

  • 194.3158
 
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Names and Synonyms

Name of Substance

  • alpha-Ionol

Synonyms

  • 3-06-00-00402 (Beilstein Handbook Reference)
  • 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol
  • 4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-ol
  • AI3-36071
  • alpha-Ionol
  • alpha-lonol
  • BRN 2327829
  • EINECS 246-815-7
  • FEMA No. 3624
  • UNII-4QI2W5Y52K

Systematic Names

  • 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
  • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol

Superlist Name

  • Ionol, alpha-

Registry Numbers

CAS Registry Number

  • 25312-34-9

FDA UNII

  • 4QI2W5Y52K

Other Registry Number

  • 211241-68-8

System Generated Number

  • 0025312349

Structure Descriptors

InChI

InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+

InChIKey

PWDOJWCZWKWKSE-BQYQJAHWSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 359, 1988.
rat LDLo oral 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 359, 1988.