α-Guaiene

CAS Registry Number®

3691-12-1

CAS Name

α-Guaiene

Molecular Formula

C15H24

Molecular Mass

204.35

Cite this Page

α-Guaiene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3691-12-1 (retrieved 2024-11-22) (CAS RN: 3691-12-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    78-79 °C @ Press: 2.5 Torr

  • Density (1)

    0.8999 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m0/s1

InChIKey

InChIKey=ADIDQIZBYUABQK-RWMBFGLXSA-N

SMILES

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

Canonical SMILES

C=C(C)C1CC2=C(CCC2C)C(C)CC1

Other Names for this Substance

  • Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S,4S,7R)-
  • Guaia-1(5),11-diene
  • Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1α,4α,7α)]-
  • Azulene, 1,2,3,4,5,6,7,8-octahydro-7β-isopropenyl-1β,4β-dimethyl-
  • (1S,4S,7R)-1,2,3,4,5,6,7,8-Octahydro-1,4-dimethyl-7-(1-methylethenyl)azulene

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