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Substance Name: Cedrenyl acetate
RN: 1405-92-1
InChIKey: AICQDCHSUWFHCC-ZUFFMMDNSA-N

Molecular Formula

  • C17-H26-O2

Molecular Weight

  • 262.3904
 
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Names and Synonyms

Name of Substance

  • Cedrenyl acetate

Synonyms

  • Cedrenyl acetate
  • EINECS 215-789-9

Systematic Names

  • (3R-(3alpha,3Abeta,7beta,8aalpha))-2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methyl acetate
  • 1H-3a,7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, 6-acetate, (3R,3aS,7R,8aS)-
  • 1H-3a,7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, acetate, (3R,3aS,7R,8aS)-
  • Cedrenol, acetate (8CI)

Registry Numbers

CAS Registry Number

  • 1405-92-1

Other Registry Number

  • 65082-67-9

System Generated Number

  • 0001405921

Structure Descriptors

InChI

1S/C17H26O2/c1-11-5-6-15-16(3,4)14-9-17(11,15)8-7-13(14)10-19-12(2)18/h7,11,14-15H,5-6,8-10H2,1-4H3/t11-,14+,15+,17+/m1/s1

InChIKey

AICQDCHSUWFHCC-ZUFFMMDNSA-N

Smiles

C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC=C3COC(=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. 13, Pg. 743, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 743, 1975.