Isoacorone

  • Identifiers

    CAS mumber
    6168-64-5

    Molecular formula
    C15H24O2

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

  • Properties

    XLogP3-AA
    2.9 Well soluble in DEP, BB, MMB

    Molecular weight
    236.35 g/mol

  • Synonyms

    • Isoacoron
    • 6168-64-5
    • Isoacorone
    • NSC-147746
    • (-)-Isoacorone
    • EINECS 228-206-8
    • NSC 147746
    • JXC4LT8GCA
    • DTXSID601318383
    • (1R-(1alpha,4beta,5beta,8S*))-1-Isopropyl-4,8-dimethylspiro(4.5)decane-2,7-dione
    • Spiro(4.5)decane-2,7-dione, 4,8-dimethyl-1-(1-methylethyl)-, (1R-(1alpha,4beta,5beta(S*)))-
    • Spiro[4.5]decane-2,7-dione, 4,8-dimethyl-1-(1-methylethyl)-,(1R,4S,5S,8S)-
1 3

Botanical

Name CAS Botanical Proportion
Eucalyptus globulus (Hungary) fruit 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.1%
Calamus (Mongolia) root 8015-79-0 Acorus calamus L., fam. Araceae 5.7%
Calamus (Germany) 1a root 8015-79-0 Acorus calamus L., fam. Araceae 0.3%
Calamus (Germany) 1b root 8015-79-0 Acorus calamus L., fam. Araceae 2.4%
Calamus (Canada) root 8015-79-0 Acorus calamus L., fam. Araceae 0.8%