• Identifiers

    CAS number
    495-74-9

    Molecular formula
    C12H8O

    SMILES
    CC#CC#CC(=O)C1=CC=CC=C1

  • Odor profile

    sweet 61.04%
    spicy 50.15%
    floral 39.72%
    cinnamon 33.33%
    warm 29.0%
    balsamic 28.82%
    powdery 28.46%
    vanilla 26.76%
    herbal 25.33%
    bitter 23.75%

    Scent© AI

  • Properties

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

    Molecular weight
    168.19 g/mol

    Melting points

    • 82 - 83 °C

  • Synonyms

    • Capillin
    • 1-phenylhexa-2,4-diyn-1-one
    • 495-74-9
    • 2,4-HEXADIYNOPHENONE
    • 2,4-Hexadiyn-1-one, 1-phenyl-
    • 1-Phenyl-2,4-hexadiyn-1-one
    • 9JXZ3SJG0I
    • NSC 113499
    • BRN 1865168
    • UNII-9JXZ3SJG0I
    • NSC-113499
    • CHEBI:3369
    • DTXSID90197812
    • 2, 4-Hexadiynophenone
    • 1-Benzoyl-1,3-pentadiyne
    • 2,4-Hexadiynophenone, 8CI
    • CHEMBL4540891
    • DTXCID50120303
    • 1-Phenyl-2,4-hexadiyn-1-one #
    • NSC113499
    • AKOS006277108
    • 2,4-Hexadiyn-1-one, 1-phenyl-(9CI)
    • 2,4-Hexadiyn-1-one, 1-phenyl- (9CI)
    • C08398
    • Q18012475
1 of 4
Name CAS Botanical Proportion
Artemisia waltonii (China) Artemisia waltonii J.R. Drumm. ex Pamp., fam. Asteraceae (Compositae) 0.35%