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Substance Name: 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, 2-acetate
RN: 52210-18-1
InChIKey: WHHAWKIPTSGTNC-UHFFFAOYSA-N

Molecular Formula

  • C15-H24-O2

Molecular Weight

  • 236.353
 
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Names and Synonyms

Synonyms

  • 3-06-00-00402 (Beilstein Handbook Reference)
  • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol acetate
  • AI3-36072
  • alpha-Ionyl acetate
  • BRN 3134520
  • EINECS 257-738-3

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 52210-18-1

Other Registry Number

  • 94224-42-7

System Generated Number

  • 0052210181

Structure Descriptors

InChI

1S/C15H24O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h7-9,12,14H,6,10H2,1-5H3

InChIKey

WHHAWKIPTSGTNC-UHFFFAOYSA-N

Smiles

O=C(O[C@@H](\C=C/[C@@H]1C(=CCCC1(C)C)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. 363, 1988.
rat LDLo oral 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 363, 1988.