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Substance Name: Daucol
RN: 887-08-1
UNII: I0ZU59LV27
InChIKey: VLIUMVVQGMLOJG-SEBNEYGDSA-N

Molecular Formula

  • C15-H26-O2

Molecular Weight

  • 238.3684
 
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Names and Synonyms

Name of Substance

  • Daucol

Synonyms

  • (-)-Daucol
  • (3R,3aS,6S,7S,8aR)-Octahydro-6,8a-dimethyl-3-(1-methylethyl)-1H-3a,6-epoxyazulen-7-ol
  • 1H-3a,6-Epoxyazulen-7-ol, octahydro-6,8a-dimethyl-3-(1-methylethyl)-, (3R,3aS,6S,7S,8aR)-
  • Daucol
  • Daucol [MI]
  • UNII-I0ZU59LV27

Registry Numbers

CAS Registry Number

  • 887-08-1

FDA UNII

  • I0ZU59LV27

System Generated Number

  • 0000887081

Structure Descriptors

InChI

InChI=1S/C15H26O2/c1-10(2)11-5-6-13(3)9-12(16)14(4)7-8-15(11,13)17-14/h10-12,16H,5-9H2,1-4H3/t11-,12+,13-,14+,15+/m1/s1

InChIKey

VLIUMVVQGMLOJG-SEBNEYGDSA-N

Smiles

CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@]3(C)CC[C@]12O3

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 114 deg C   EXP
log P (octanol-water) 3.070 (none)   EST
Atmospheric OH Rate Constant 4.77E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.