Angelicin

  • Identifiers

    CAS number
    523-50-2

    Molecular formula
    C11H6O3

    SMILES
    C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3

  • Odor profile

    sweet 81.21%
    coumarinic 50.57%
    nutty 39.11%
    powdery 39.01%
    coconut 38.78%
    burnt 38.59%
    balsamic 35.04%
    caramellic 33.79%
    vanilla 32.82%
    creamy 29.9%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0 Well soluble in DEP, MMB, TEC

    Molecular weight
    186.16 g/mol

    Melting points

    • 140 °C
    • 138 - 139.5 °C

    Boiling points

    • 360.00 to 362.00 °C. @ 760.00 mm Hg

    Solubilities

    • In water, 20 mg/L
    • Very slightly soluble in water (20 mg/L)
    • Soluble in methanol and ethanol

  • Synonyms

    • Angelicin
    • 523-50-2
    • ISOPSORALEN
    • 2H-Furo[2,3-H]chromen-2-one
    • furo[2,3-h]chromen-2-one
    • Angecin
    • 2-Oxo-(2H)-furo(2,3-h)-1-benzopyran
    • Furo(2,3-h)coumarin
    • Isopsoralin
    • 2H-Furo[2,3-H]-1-benzopyran-2-one
    • Angelicin (coumarin derivative)
    • Angelicin (coumarin deriv)
    • Angelecin
    • CCRIS 4276
    • Furo(5',4':7,8)coumarin
    • NSC 404563
    • 2H-Furo(2,3-H)-1-benzopyran-2-one
    • HSDB 3554
    • UNII-CZZ080D7BD
    • CZZ080D7BD
    • 4-Hydroxy-5-benzofuranacrylic acid gamma-lactone
    • BRN 0153970
    • CHEBI:28928
    • Angelicin (Isopsoralen)
    • 3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid gamma-lactone
    • MFCD00064930
    • NSC-404563
    • 2H-Furo(2,3-h)(1)benzopyran-2-one
    • CHEMBL53569
    • Furo[5',4':7,8]coumarin
    • 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, delta-lactone
    • DTXSID00200321
    • 5-19-04-00447 (Beilstein Handbook Reference)
    • Furo[2,3-h]coumarin
    • 2H-furo(2,3-h)chromen-2-one
    • Angelicin (Standard)
    • Furo[5',8]coumarin
    • ISOPSORALEN [HSDB]
    • Oprea1_022970
    • SCHEMBL376379
    • Furo(5',4',7,8)coumarin
    • Furo[2,3-h]benzopyran-2-one
    • NIOSH/LV0940100
    • HY-N0763R
    • pyrano[6,5-e]benzofuran-2-one
    • DTXCID00122812
    • XDROKJSWHURZGO-UHFFFAOYSA-N
    • HMS1645D18
    • BCP29934
    • HY-N0763
    • 2H-Furo[2,3-H]chromen-2-one #
    • BDBM50331545
    • NSC404563
    • s3892
    • STL564561
    • AKOS006281380
    • Angelicin plus ultraviolet A radiation
    • CCG-266471
    • CS-3754
    • FA17920
    • Furo[2,3-h]chromen-2-one(angelicin)
    • NCGC00388372-01
    • AC-33978
    • AS-35334
    • A2573
    • LV09401000
    • NS00094600
    • C09060
    • EN300-6730963
    • AA-504/20833001
    • AA-504/21027016
    • 4-Hydroxy-5-benzofuranacrylic acid .gamma.-lactone
    • Q2849857
    • Isopsoralen pound>>2-Oxo-(2H)-furo(2,3-h)-1-benzopyran
    • 3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid .gamma.-lactone
    • 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, .delta.-lactone
    • 2H-Furo(2,3-h)(1)benzopyran-2-one, plus ultraviolet A radiation
    • Furo[2,3-h]chromen-2-one;2-Oxo-(2H)-furo(2,3-H)-1-benzopyran;Isopsoralen
    • InChI=1/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6
1 4

Botanical

Name CAS Botanical Proportion
Rue (China) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.37%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.36%