Cedryl acetate

CAS Registry Number®

77-54-3
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CAS Name

Cedryl acetate

Molecular Formula

C17H28O2

Molecular Mass

264.40

Cite this Page

Cedryl acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=77-54-3 (retrieved 2024-04-20) (CAS RN: 77-54-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    40-42 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14-,16-,17+/m1/s1

InChIKey

InChIKey=HQKQRXZEXPXXIG-DTWJZALFSA-N

SMILES

C[C@H]1[C@@]23[C@](C(C)(C)[C@@](C2)([C@@](OC(C)=O)(C)CC3)[H])(CC1)[H]

Canonical SMILES

O=C(OC1(C)CCC23CC1C(C)(C)C3CCC2C)C

Other Names for this Substance

  • 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, 6-acetate, (3R,3aS,6R,7R,8aS)-
  • 8βH-Cedran-8-ol, acetate
  • 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, [3R-(3α,3aβ,6α,7β,8aα)]-
  • Cedrol, acetate
  • 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, (3R,3aS,6R,7R,8aS)-

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Deleted or Replaced CAS Registry Numbers

2258642-85-0

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