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Substance Name: Cedrol, acetate
RN: 77-54-3
UNII: 0WS0WJ9WNV
InChIKey: HQKQRXZEXPXXIG-DTWJZALFSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C17-H28-O2

Molecular Weight

  • 264.4062
 
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Names and Synonyms

Results Name

  • Cedrol, acetate

Name of Substance

  • Cedryl acetate

Synonyms

  • 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate
  • 8beta-H-Cedran-8-ol acetate
  • Acetic acid, cedrol ester
  • AI3-24206
  • Cedranyl acetate
  • Cedrol acetate
  • Cedryl acetate
  • EINECS 201-036-1
  • Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-yl acetate, (3R-(3alpha,3abeta,6alpha,7beta,8aalpha))-
  • UNII-0WS0WJ9WNV

Systematic Names

  • (3R-(3alpha,3Abeta,6alpha,7beta,8aalpha))-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate
  • 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, 6-acetate, (3R,3aS,6R,7R,8aS)-
  • 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, (3R,3aS,6R,7R,8aS)-
  • 8-beta-H-Cedran-8-ol, acetate
  • Cedrol, acetate (7CI)

Superlist Name

  • Cedryl acetate

Registry Numbers

CAS Registry Number

  • 77-54-3

FDA UNII

  • 0WS0WJ9WNV

System Generated Number

  • 0000077543

Structure Descriptors

InChI

1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14-,16-,17+/m1/s1

InChIKey

HQKQRXZEXPXXIG-DTWJZALFSA-N

Smiles

C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(C)OC(=O)C

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. 847, 1974.
rat LD50 oral 44750mg/kg (44750mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.