Patchouli alcohol

CAS Registry Number®

5986-55-0

CAS Name

Patchouli alcohol

Molecular Formula

C15H26O

Molecular Mass

222.37

Cite this Page

Patchouli alcohol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5986-55-0 (retrieved 2024-11-22) (CAS RN: 5986-55-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    56 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

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

InChIKey=GGHMUJBZYLPWFD-CUZKYEQNSA-N

SMILES

C[C@@]12[C@]3(O)C(C)(C)[C@@](C[C@]1([C@@H](C)CC3)[H])(CC2)[H]

Canonical SMILES

OC12CCC(C)C3CC(CCC31C)C2(C)C

Other Names for this Substance

  • 1,6-Methanonaphthalen-1(2H)-ol, octahydro-4,8a,9,9-tetramethyl-, (1R,4S,4aS,6R,8aS)-
  • 1,6-Methanonaphthalen-1β(2H)-ol, 3,4,4aβ,5,6β,7,8,8a-octahydro-4α,8aβ,9,9-tetramethyl-
  • Patchouli alcohol
  • 1,6-Methanonaphthalen-1(2H)-ol, octahydro-4,8a,9,9-tetramethyl-, [1R-(1α,4β,4aα,6β,8aα)]-
  • (1R,4S,4aS,6R,8aS)-Octahydro-4,8a,9,9-tetramethyl-1,6-methanonaphthalen-1(2H)-ol

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Deleted or Replaced CAS Registry Numbers

1366-08-1

CAS INSIGHTSTM
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