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Substance Name: beta-Caryophyllene alcohol acetate
RN: 57082-24-3
UNII: 07YBE5FZ9M
InChIKey: SJDDHMSVZMBJPH-YQFWSFKMSA-N

Molecular Formula

  • C17-H28-O2

Molecular Weight

  • 264.4062
 
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Names and Synonyms

Name of Substance

  • beta-Caryophyllene alcohol acetate

Synonyms

  • 3-06-00-00424 (Beilstein Handbook Reference)
  • 4,4,8-Trimethyltricyclo(6.3.1.02,5)dodecan-1-yl acetate, (1R-(1alpha,2alpha,5beta,8beta))-
  • BRN 3138113
  • Caryophyllen acetate
  • Caryophyllene acetate
  • Caryophyllene alcohol acetate, beta-
  • EINECS 260-555-1
  • Tricyclo(6.3.1.02,5)dodecan-1-ol, 4,4,8-trimethyl-, acetate, (1R-(1alpha,2alpha,5beta,8beta))-
  • UNII-07YBE5FZ9M

Systematic Names

  • (1R-(1alpha,2alpha,5beta,8beta))-4,4,8-Trimethyltricyclo(6.3.1.02,5)dodecan-1-yl acetate
  • Tricyclo(6.3.1.0(sup 2,5))dodecan-1-ol, 4,4,8-trimethyl-, acetate, (1R-(1-alpha,2-alpha,5-beta,8-beta))-
  • Tricyclo(6.3.1.02,5)dodecan-1-ol, 4,4,8-trimethyl-, 1-acetate, (1R,2S,5R,8S)-
  • Tricyclo(6.3.1.02,5)dodecan-1-ol, 4,4,8-trimethyl-, acetate, (1R,2S,5R,8S)-

Superlist Name

  • beta-Caryophyllene alcohol acetate

Registry Numbers

CAS Registry Number

  • 57082-24-3

FDA UNII

  • 07YBE5FZ9M

Other Registry Number

  • 62532-51-8

System Generated Number

  • 0057082243

Structure Descriptors

InChI

1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3/t13-,14+,16+,17-/m1/s1

InChIKey

SJDDHMSVZMBJPH-YQFWSFKMSA-N

Smiles

CC(=O)O[C@@]12CCC[C@@](C)(CC[C@@H]3[C@@H]1CC3(C)C)C2

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. 839, 1974.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 839, 1974.