Dalbergin

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  • Identifiers

    CAS number
    482-83-7

    Molecular formula
    C16H12O4

    SMILES
    COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 50.06%
    Sweet 48.31%
    Vanilla 44.22%
    Balsamic 38.01%
    Powdery 37.7%
    Spicy 36.04%
    Fruity 34.97%
    Creamy 31.24%
    Floral 28.97%
    Burnt 28.6%

     

    Flavor
    Bitter 89.95%
    Sweet 27.14%
    Balsam 21.68%
    Tonka 20.21%
    Curry 19.99%
    Parsley 19.75%
    Naphthalic 19.64%
    Lovage 19.59%
    Very strong 19.49%
    Eugenol 19.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.77 (neutral)

    Molecular weight
    268.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    478°C

    Flash point

    • 200.54 ˚C est.

  • Synonyms

    • Dalbergin
    • 482-83-7
    • 6-hydroxy-7-methoxy-4-phenylchromen-2-one
    • DTXSID60331943
    • RefChem:130778
    • DTXCID40283037
    • 6-Hydroxy-7-methoxy-4-phenylcoumarin
    • 6-hydroxy-7-methoxy-4-phenyl-2H-chromen-2-one
    • 2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-4-phenyl-
    • MFCD00075721
    • 6-Hydroxy-7-methoxy-4-phenyl-chromen-2-one
    • SCHEMBL620349
    • 6-Hydroxy-7-methoxy-4-phenyl-2H-1-benzopyran-2-one
    • CHEBI:4308
    • orb1297674
    • CHEMBL1829658
    • SCHEMBL30856792
    • AZELSOYQOIUPBZ-UHFFFAOYSA-N
    • HY-N8347
    • LMPK12100003
    • AKOS015856200
    • EBC-617360
    • FH66329
    • AS-77930
    • DA-72543
    • CS-0143446
    • NS00116190
    • ST50308886
    • G12201
    • Q27106329
    • 482-83-7

  • Applications

    Dalbergin, CAS 482-83-7, is commonly viewed as an organic synthesis intermediate and building block; in practice, it is evaluated for applications such as a fragrance component or fixative in perfumery, as a cosmetic ingredient with potential antioxidant or stabilizing properties, as a dye or pigment intermediate in coatings and inks, and as a chemical building block in pharmaceutical research, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.42
    methanol 4.18
    isopropanol 2.43
    water 0.0
    ethyl acetate 5.88
    n-propanol 3.98
    acetone 11.18
    n-butanol 2.99
    acetonitrile 4.8
    DMF 60.18
    toluene 2.64
    isobutanol 2.71
    1,4-dioxane 19.28
    methyl acetate 11.41
    THF 80.64
    2-butanone 16.9
    n-pentanol 2.19
    sec-butanol 3.01
    n-hexane 0.01
    ethylene glycol 3.65
    NMP 42.36
    cyclohexane 0.03
    DMSO 102.59
    n-butyl acetate 5.8
    n-octanol 0.83
    chloroform 9.34
    n-propyl acetate 6.0
    acetic acid 11.02
    dichloromethane 17.46
    cyclohexanone 16.9
    propylene glycol 2.71
    isopropyl acetate 5.43
    DMAc 81.29
    2-ethoxyethanol 14.64
    isopentanol 3.88
    n-heptane 0.04
    ethyl formate 3.82
    1,2-dichloroethane 19.96
    n-hexanol 2.17
    2-methoxyethanol 32.09
    isobutyl acetate 3.61
    tetrachloromethane 0.35
    n-pentyl acetate 3.48
    transcutol 70.48
    n-heptanol 1.41
    ethylbenzene 1.46
    MIBK 6.07
    2-propoxyethanol 16.63
    tert-butanol 4.53
    MTBE 4.58
    2-butoxyethanol 8.14
    propionic acid 5.72
    o-xylene 1.97
    formic acid 6.57
    diethyl ether 3.83
    m-xylene 1.38
    p-xylene 1.83
    chlorobenzene 3.99
    dimethyl carbonate 10.14
    n-octane 0.02
    formamide 21.52
    cyclopentanone 37.15
    2-pentanone 7.34
    anisole 9.53
    cyclopentyl methyl ether 10.7
    gamma-butyrolactone 37.08
    1-methoxy-2-propanol 18.18
    pyridine 22.81
    3-pentanone 7.03
    furfural 34.79
    n-dodecane 0.04
    diethylene glycol 18.89
    diisopropyl ether 0.99
    tert-amyl alcohol 5.01
    acetylacetone 15.59
    n-hexadecane 0.05
    acetophenone 10.4
    methyl propionate 8.72
    isopentyl acetate 7.09
    trichloroethylene 41.19
    n-nonanol 1.08
    cyclohexanol 3.1
    benzyl alcohol 7.72
    2-ethylhexanol 2.15
    isooctanol 1.59
    dipropyl ether 3.26
    1,2-dichlorobenzene 4.61
    ethyl lactate 5.0
    propylene carbonate 10.5
    n-methylformamide 14.76
    2-pentanol 1.68
    n-pentane 0.01
    1-propoxy-2-propanol 10.14
    1-methoxy-2-propyl acetate 15.38
    2-(2-methoxypropoxy) propanol 14.68
    mesitylene 0.79
    ε-caprolactone 14.93
    p-cymene 1.71
    epichlorohydrin 78.59
    1,1,1-trichloroethane 4.31
    2-aminoethanol 5.44
    morpholine-4-carbaldehyde 47.2
    sulfolane 65.81
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 20.33
    n-hexyl acetate 4.2
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 16.12
    sec-butyl acetate 4.66
    tert-butyl acetate 9.24
    decalin 0.11
    glycerin 10.08
    diglyme 46.17
    acrylic acid 7.91
    isopropyl myristate 2.32
    n-butyric acid 5.54
    acetyl acetate 5.54
    di(2-ethylhexyl) phthalate 3.82
    ethyl propionate 6.23
    nitromethane 31.72
    1,2-diethoxyethane 13.23
    benzonitrile 6.23
    trioctyl phosphate 2.04
    1-bromopropane 3.18
    gamma-valerolactone 46.71
    n-decanol 0.9
    triethyl phosphate 5.93
    4-methyl-2-pentanol 1.66
    propionitrile 5.26
    vinylene carbonate 10.3
    1,1,2-trichlorotrifluoroethane 37.07
    DMS 10.78
    cumene 1.2
    2-octanol 0.74
    2-hexanone 6.33
    octyl acetate 2.8
    limonene 2.02
    1,2-dimethoxyethane 33.0
    ethyl orthosilicate 5.46
    tributyl phosphate 3.02
    diacetone alcohol 15.64
    N,N-dimethylaniline 6.61
    acrylonitrile 9.92
    aniline 7.54
    1,3-propanediol 8.93
    bromobenzene 3.31
    dibromomethane 5.04
    1,1,2,2-tetrachloroethane 23.55
    2-methyl-cyclohexyl acetate 6.89
    tetrabutyl urea 4.83
    diisobutyl methanol 1.84
    2-phenylethanol 7.96
    styrene 1.87
    dioctyl adipate 5.36
    dimethyl sulfate 26.43
    ethyl butyrate 5.95
    methyl lactate 8.96
    butyl lactate 4.56
    diethyl carbonate 5.59
    propanediol butyl ether 5.51
    triethyl orthoformate 6.32
    p-tert-butyltoluene 1.59
    methyl 4-tert-butylbenzoate 10.35
    morpholine 29.8
    tert-butylamine 1.56
    n-dodecanol 0.74
    dimethoxymethane 30.42
    ethylene carbonate 7.09
    cyrene 14.72
    2-ethoxyethyl acetate 10.3
    2-ethylhexyl acetate 5.21
    1,2,4-trichlorobenzene 8.25
    4-methylpyridine 14.87
    dibutyl ether 2.31
    2,6-dimethyl-4-heptanol 1.84
    DEF 13.61
    dimethyl isosorbide 31.6
    tetrachloroethylene 11.48
    eugenol 11.19
    triacetin 10.06
    span 80 7.35
    1,4-butanediol 2.42
    1,1-dichloroethane 4.8
    2-methyl-1-pentanol 3.25
    methyl formate 10.53
    2-methyl-1-butanol 3.56
    n-decane 0.06
    butyronitrile 3.35
    3,7-dimethyl-1-octanol 1.62
    1-chlorooctane 0.57
    1-chlorotetradecane 0.31
    n-nonane 0.04
    undecane 0.05
    tert-butylcyclohexane 0.1
    cyclooctane 0.01
    cyclopentanol 4.3
    tetrahydropyran 10.58
    tert-amyl methyl ether 4.62
    2,5,8-trioxanonane 32.54
    1-hexene 0.2
    2-isopropoxyethanol 9.07
    2,2,2-trifluoroethanol 4.67
    methyl butyrate 7.43

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction