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Substance Name: Cedrol formate
RN: 39900-38-4
InChIKey: AHZYNUWTBDLJHG-RHBQXOTJSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C16-H26-O2

Molecular Weight

  • 250.3794
 
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Names and Synonyms

Name of Substance

  • Cedrol formate

Synonyms

  • 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, formate, (3R-(3alpha,3abeta,6alpha,7beta,8aalpha))-
  • BRN 2526207
  • Cedrenyl formate
  • Cedrol formate
  • Cedryl formate
  • EINECS 254-693-1

Systematic Names

  • (3R-(3alpha,3abeta,6alpha,7beta,8aalpha))-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-yl formate
  • 1H-3-alpha,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, formate, (3R-(3-alpha,3a-beta,6-alpha,7-beta,8a-alpha))-
  • 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, 6-formate, (3R,3aS,6R,7R,8aS)-
  • 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, formate, (3R,3aS,6R,7R,8aS)-

Registry Numbers

CAS Registry Number

  • 39900-38-4

System Generated Number

  • 0039900384

Structure Descriptors

InChI

1S/C16H26O2/c1-11-5-6-12-14(2,3)13-9-16(11,12)8-7-15(13,4)18-10-17/h10-13H,5-9H2,1-4H3/t11-,12+,13-,15-,16+/m1/s1

InChIKey

AHZYNUWTBDLJHG-RHBQXOTJSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 647, 1982.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 647, 1982.