3-(2-Methylpropylidene)-3a,4-dihydro-2-benzofuran-1(3H)-one

  • Identifiers

    Molecular formula
    C12H14O2

    SMILES
    CC(C)C=C1C2CC=CC=C2C(=O)O1
    OO

  • Odor profile

    herbal 66.08%
    spicy 65.41%
    mint 47.16%
    sweet 38.83%
    celery 38.36%
    coconut 33.45%
    coumarinic 32.07%
    green 31.04%
    woody 30.82%
    warm 28.13%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8 Well soluble in DEP, IAA, BB

    Molecular weight
    190.24 g/mol

    Vapor pressure est.

    • 0.0057 hPa @ 20°C
    • 0.0095 hPa @ 25°C

    Evaporation rate
    Slow

  • Synonyms

    • 66983-88-8
    • Isobutylidendihydrophthalid
    • DTXSID70797697
    • 3-(2-Methylpropylidene)-3a,4-dihydro-2-benzofuran-1(3H)-one
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Celery seed (Pakistan) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.85%
Celery flower 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 2.9%
Celery seed 1 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 6.5%
Celery leaf 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 3.2%
Celery root 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.05%
Celery stem 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 1.3%