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Substance Name: Patchouli alcohol
RN: 5986-55-0
UNII: HHH8CPR1M2
InChIKey: GGHMUJBZYLPWFD-CUZKYEQNSA-N

Note

  • Major component of the essential oil of patchouli; perfumery raw material.

Molecular Formula

  • C15-H26-O

Molecular Weight

  • 222.3694
 
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Names and Synonyms

Name of Substance

  • Patchouli alcohol

Synonyms

  • EINECS 227-807-2
  • UNII-HHH8CPR1M2

Systematic Names

  • (1R-(1alpha,4beta,4aalpha,6beta,8aalpha))-Octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol
  • 1,6-Methanonaphthalen-1(2H)-ol, octahydro-4,8a,9,9-tetramethyl-, (1R,4S,4aS,6R,8aS)-

Registry Numbers

CAS Registry Number

  • 5986-55-0

FDA UNII

  • HHH8CPR1M2

Other Registry Number

  • 1366-08-1

System Generated Number

  • 0005986550

Structure Descriptors

InChI

1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1

InChIKey

GGHMUJBZYLPWFD-CUZKYEQNSA-N

Smiles

C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)CC3)C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 56 deg C   EXP
log P (octanol-water) 3.980 (none)   EST
Atmospheric OH Rate Constant 2.10E-11 cm3/molecule-sec 25 EST

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