3-Butylhexahydrophthalide

  • Identifiers

    CAS mumber
    3553-34-2

    Molecular formula
    C12H20O2

    SMILES
    CCCCC1C2CCCCC2C(=O)O1

  • Properties

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

    Molecular weight
    196.29 g/mol

  • Synonyms

    • (3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone
    • 3-butylhexahydrophthalide
    • 1(3H)-Isobenzofuranone, 3-butylhexahydro-
    • Hexahydro-3-butylphthalide
    • 3,n-Butylhexahydrophthalide
    • Phthalide, 3-butylhexahydro-
    • SCHEMBL1279424
    • CHEBI:172047
    • TZRMFZSOOVBPPN-UHFFFAOYSA-N
    • 3-butylhexahydroisobenzofuran-1(3H)-one
    • 3-butyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzouran-1-one
    • 3-butyl-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one
    • Cyclohexanecarboxylic acid, 2-(1-hydroxypentyl)-, .gamma.-lactone
1 3

Botanical

Name CAS Botanical Proportion
Celery plant 8015-90-5 Apium graveolens L. var. dulce, fam. Apiaceae (Umbelliferae) 0.1%
Celery seed (India) 2 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.48%
Celery seed (Egypt) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.12%