β-Cadinene

CAS Registry Number®

523-47-7
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CAS Name

β-Cadinene

Molecular Formula

C15H24

Molecular Mass

204.35

Cite this Page

β-Cadinene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=523-47-7 (retrieved 2024-04-26) (CAS RN: 523-47-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    124 °C @ Press: 9 Torr

  • Density (1)

    0.9239 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1

InChIKey

InChIKey=USDOQCCMRDNVAH-KKUMJFAQSA-N

SMILES

[C@@H](C)(C)[C@H]1[C@]2([C@](C(C)=CC1)(CC=C(C)C2)[H])[H]

Canonical SMILES

C1=C(C)CC2C(C(=CCC2C(C)C)C)C1

Other Names for this Substance

  • Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aS)-
  • Cadina-3,9-diene
  • Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1α,4aβ,8aα)]-
  • β-Cadinene
  • (1S,4aR,8aS)-1,2,4a,5,8,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene

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Deleted or Replaced CAS Registry Numbers

1389-14-6, 1389-22-6, 3858-53-5, 5743-03-3

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