(E)-3-Butylidenephthalide

  • Identifiers

    CAS mumber
    76681-73-7

    Molecular formula
    C12H12O2

    SMILES
    CCC/C=C/1\C2=CC=CC=C2C(=O)O1

    Retention indicies (RI)

    • DB5: 1711.0

  • Properties

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

    Molecular weight
    188.22 g/mol

    Boiling points

    • 319.00 to 321.00 °C. @ 760.00 mm Hg

    Solubilities

    • slightly
    • Insoluble in water; soluble in oils
    • soluble (in ethanol)

  • Synonyms

    • Ligusticum lactone
    • Butylidenephthalide
    • Butylidene phthalide
    • 3-Butylidene-1(3H)-isobenzofuranone
    • n-Butylidene phthalide
    • Phthalide, 3-butylidene-
    • 551-08-6
    • EINECS 208-991-3
    • NSC 325307
    • 3-Butylidene phthalide
    • (3E)-3-butylidene-2-benzofuran-1-one
    • AI3-37306
    • (E)-3-Butylidenephthalide
    • 1(3H)-ISOBENZOFURANONE, 3-BUTYLIDENE-
    • 3-Butylidenephthalide, (E)-
    • 76681-73-7
    • CHEMBL1765390
    • (Z)-3-Butylidenephthalide
    • S9178G4B3F
    • (3E)-3-butylidene-1,3-dihydro-2-benzofuran-1-one
    • FEMA No. 3333
    • 3-Butylidenephthalide, (Z)-
    • Lingustilide
    • UNII-S9178G4B3F
    • 3-Butylidene-phthalide
    • cis-Butylidenephthalide;(Z)-Butylidenephthalide
    • 3-n-Butylidene-phthalide
    • 2JL3MHX6ZE
    • 3-Butylidenephthalide, 8CI
    • 1(3H)-Isobenzofuranone, 3-butylidene-, (3E)-
    • SCHEMBL290483
    • SCHEMBL783051
    • FEMA 3333
    • CHEBI:196485
    • WMBOCUXXNSOQHM-DHZHZOJOSA-N
    • 3-BUTYLIDENEPHTHALIDE [FHFI]
    • BDBM50341204
    • (3E)-3-butylideneisobenzofuran-1-one
    • AKOS032948974
    • (3E)-3-butylidene-2-benzouran-1-one
    • (E)-3-Butylideneisobenzofuran-1(3H)-one
    • Q27890207
    • 208-991-3
1 3

Botanical

Name CAS Botanical Proportion
Lovage root (France) 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 0.67%
Lovage headspace 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 0.41%
Lovage root (China) 1 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 1.33%
Lovage root (China) 2 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 0.9%
Celery plant 8015-90-5 Apium graveolens L. var. dulce, fam. Apiaceae (Umbelliferae) 1.0%
Lovage seed (France) 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 0.09%