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Substance Name: Tricyclo(6.3.1.0(sup 2,5))dodecan-1-ol, 4,4,8-trimethyl-, (1R-(1-alpha,2-alpha,5-beta,8beta))-
RN: 56747-96-7
InChIKey: FUQAYSQLAOJBBC-PAPYEOQZSA-N

Molecular Formula

  • C15-H26-O

Molecular Weight

  • 222.3694
 
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Names and Synonyms

Synonyms

  • Caryophyllene alcohol
  • EINECS 260-364-3

Systematic Names

  • Caryophyllene alcohol
  • Tricyclo(6.3.1.0(sup 2,5))dodecan-1-ol, 4,4,8-trimethyl-, (1R-(1-alpha,2-alpha,5-beta,8beta))-
  • Tricyclo(6.3.1.0(sup 2,5))dodecan-1-ol, 4,4,8-trimethyl-, stereoisomer

Registry Numbers

CAS Registry Number

  • 56747-96-7

System Generated Number

  • 0056747967

Structure Descriptors

InChI

InChI=1S/C15H26O/c1-13(2)9-12-11(13)5-8-14(3)6-4-7-15(12,16)10-14/h11-12,16H,4-10H2,1-3H3/t11-,12+,14+,15-/m1/s1

InChIKey

FUQAYSQLAOJBBC-PAPYEOQZSA-N

Smiles

C[C@@]12CCC[C@@](O)(C1)[C@H]3CC(C)(C)[C@@H]3CC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 841, 1974.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 841, 1974.