α-Vetivone

CAS Registry Number®

15764-04-2

CAS Name

α-Vetivone

Molecular Formula

C15H22O

Molecular Mass

218.33

Cite this Page

α-Vetivone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15764-04-2 (retrieved 2024-11-24) (CAS RN: 15764-04-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    126.7 °C @ Press: 0.85 Torr

  • Melting Point (2)

    51.5 °C

  • Density (1)

    1.0035 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11H,5-7,9H2,1-4H3/t11-,15+/m1/s1

InChIKey

InChIKey=NIIPDXITZPFFTE-ABAIWWIYSA-N

SMILES

C[C@@]12C(=CC(=O)C[C@H]1C)CCC(=C(C)C)C2

Canonical SMILES

O=C1C=C2CCC(=C(C)C)CC2(C)C(C)C1

Other Names for this Substance

  • 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethylidene)-, (4R,4aS)-
  • 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethylidene)-, (4R-cis)-
  • 4βH,5α-Eremophila-1(10),7(11)-dien-2-one
  • (4R,4aS)-4,4a,5,6,7,8-Hexahydro-4,4a-dimethyl-6-(1-methylethylidene)-2(3H)-naphthalenone
  • α-Vetivone

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Deleted or Replaced CAS Registry Numbers

89-89-4, 6152-50-7