3-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one

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  • Identifiers

    CAS number
    30368-42-4

    Molecular formula
    C15H12O6

    SMILES
    C1C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=C(C=C(C=C3)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.61%
    Phenolic 55.06%
    Burnt 27.73%
    Spicy 27.56%
    Medicinal 24.44%
    Nutty 22.99%
    Smoky 22.14%
    Bitter 21.39%
    Vanilla 20.68%
    Balsamic 19.7%

     

    Flavor
    Bitter 94.22%
    Odorless 25.39%
    Bland 22.49%
    Sweet-like 21.27%
    Cedarleaf 20.75%
    Lovage 19.9%
    Nitrile 19.58%
    Parsley 19.54%
    Very strong 19.47%
    Indole 19.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    10.73 (weak base)

    Molecular weight
    288.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    782°C

    Flash point

    • 271.23 ˚C est.

  • Synonyms

    • 30368-42-4
    • RefChem:910887
    • GlyTouCan:G14952JF
    • G14952JF
    • 3-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
    • dalbergioidin
    • (+-)-Dalbergioidin
    • 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
    • 4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-
    • (+/-)-Dalbergioidin
    • Isoflavanone, 2',4',5,7-tetrahydroxy-
    • CHEBI:65
    • orb1682855
    • SCHEMBL29737519
    • DTXSID20952714
    • HY-N3674
    • LMPK12050500
    • MFCD00238717
    • 5,7,2',4'-Tetrahydroxyisoflavanone
    • AKOS032948917
    • FS-9458
    • CS-0024036
    • 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one
    • 3-(2,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one
    • Q27105220
    • B0005-458129
    • 3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-1-benzopyran-4-one
    • 2,3-Dihydro-5,7-dihydroxy-3-(2,4-dihydroxyphenyl)-4H-1-benzopyran-4-one, 9CI
    • 30368-42-4

  • Applications

    3-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one (CAS 30368-42-4) is commonly evaluated as an intermediate in pharmaceutical synthesis; in cosmetics and personal care it may serve as an antioxidant and light-stabilizing additive; in polymer and coating applications it is considered as a stabilizer to improve thermal and photochemical stability; in agriculture it is explored as a plant antioxidant with potential use in crop-related formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.39
    methanol 75.46
    isopropanol 39.26
    water 0.05
    ethyl acetate 50.12
    n-propanol 27.64
    acetone 188.58
    n-butanol 29.83
    acetonitrile 53.23
    DMF 449.64
    toluene 0.76
    isobutanol 17.37
    1,4-dioxane 61.88
    methyl acetate 50.22
    THF 560.24
    2-butanone 128.77
    n-pentanol 15.07
    sec-butanol 24.92
    n-hexane 0.06
    ethylene glycol 23.05
    NMP 140.63
    cyclohexane 0.08
    DMSO 2617.56
    n-butyl acetate 16.81
    n-octanol 5.7
    chloroform 0.69
    n-propyl acetate 23.24
    acetic acid 32.53
    dichloromethane 0.52
    cyclohexanone 79.14
    propylene glycol 29.97
    isopropyl acetate 26.81
    DMAc 415.63
    2-ethoxyethanol 125.8
    isopentanol 26.11
    n-heptane 0.14
    ethyl formate 40.23
    1,2-dichloroethane 2.47
    n-hexanol 9.86
    2-methoxyethanol 332.28
    isobutyl acetate 5.9
    tetrachloromethane 0.31
    n-pentyl acetate 6.81
    transcutol 90.17
    n-heptanol 5.28
    ethylbenzene 0.62
    MIBK 35.08
    2-propoxyethanol 104.88
    tert-butanol 61.89
    MTBE 12.5
    2-butoxyethanol 26.26
    propionic acid 22.54
    o-xylene 0.95
    formic acid 32.38
    diethyl ether 15.54
    m-xylene 0.99
    p-xylene 0.77
    chlorobenzene 0.6
    dimethyl carbonate 34.44
    n-octane 0.06
    formamide 110.41
    cyclopentanone 218.32
    2-pentanone 99.92
    anisole 7.29
    cyclopentyl methyl ether 36.84
    gamma-butyrolactone 152.41
    1-methoxy-2-propanol 270.81
    pyridine 13.46
    3-pentanone 42.23
    furfural 58.8
    n-dodecane 0.11
    diethylene glycol 110.69
    diisopropyl ether 2.69
    tert-amyl alcohol 28.34
    acetylacetone 114.53
    n-hexadecane 0.13
    acetophenone 11.7
    methyl propionate 63.95
    isopentyl acetate 11.72
    trichloroethylene 4.19
    n-nonanol 5.75
    cyclohexanol 15.96
    benzyl alcohol 9.04
    2-ethylhexanol 5.27
    isooctanol 4.23
    dipropyl ether 10.83
    1,2-dichlorobenzene 0.76
    ethyl lactate 27.28
    propylene carbonate 28.67
    n-methylformamide 199.72
    2-pentanol 17.76
    n-pentane 0.08
    1-propoxy-2-propanol 62.35
    1-methoxy-2-propyl acetate 38.5
    2-(2-methoxypropoxy) propanol 34.24
    mesitylene 0.76
    ε-caprolactone 45.56
    p-cymene 1.03
    epichlorohydrin 128.19
    1,1,1-trichloroethane 1.78
    2-aminoethanol 38.96
    morpholine-4-carbaldehyde 135.61
    sulfolane 285.95
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 60.97
    n-hexyl acetate 10.42
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 41.88
    sec-butyl acetate 10.62
    tert-butyl acetate 27.97
    decalin 0.09
    glycerin 86.32
    diglyme 89.94
    acrylic acid 19.86
    isopropyl myristate 4.6
    n-butyric acid 37.8
    acetyl acetate 17.86
    di(2-ethylhexyl) phthalate 5.04
    ethyl propionate 28.38
    nitromethane 247.51
    1,2-diethoxyethane 19.14
    benzonitrile 6.2
    trioctyl phosphate 4.63
    1-bromopropane 1.31
    gamma-valerolactone 212.54
    n-decanol 4.18
    triethyl phosphate 8.18
    4-methyl-2-pentanol 9.23
    propionitrile 34.45
    vinylene carbonate 17.45
    1,1,2-trichlorotrifluoroethane 67.76
    DMS 11.68
    cumene 0.5
    2-octanol 3.48
    2-hexanone 33.23
    octyl acetate 6.42
    limonene 1.77
    1,2-dimethoxyethane 194.02
    ethyl orthosilicate 6.69
    tributyl phosphate 5.65
    diacetone alcohol 91.25
    N,N-dimethylaniline 4.93
    acrylonitrile 47.25
    aniline 4.49
    1,3-propanediol 87.31
    bromobenzene 0.34
    dibromomethane 0.35
    1,1,2,2-tetrachloroethane 5.63
    2-methyl-cyclohexyl acetate 8.2
    tetrabutyl urea 10.45
    diisobutyl methanol 4.7
    2-phenylethanol 8.97
    styrene 0.54
    dioctyl adipate 7.9
    dimethyl sulfate 76.07
    ethyl butyrate 15.94
    methyl lactate 74.91
    butyl lactate 12.23
    diethyl carbonate 8.62
    propanediol butyl ether 25.1
    triethyl orthoformate 11.42
    p-tert-butyltoluene 1.07
    methyl 4-tert-butylbenzoate 13.0
    morpholine 127.9
    tert-butylamine 8.35
    n-dodecanol 2.85
    dimethoxymethane 269.15
    ethylene carbonate 19.89
    cyrene 36.5
    2-ethoxyethyl acetate 13.01
    2-ethylhexyl acetate 6.89
    1,2,4-trichlorobenzene 1.39
    4-methylpyridine 13.97
    dibutyl ether 5.74
    2,6-dimethyl-4-heptanol 4.7
    DEF 91.74
    dimethyl isosorbide 57.17
    tetrachloroethylene 2.56
    eugenol 14.41
    triacetin 12.99
    span 80 16.52
    1,4-butanediol 22.63
    1,1-dichloroethane 1.71
    2-methyl-1-pentanol 11.11
    methyl formate 114.65
    2-methyl-1-butanol 18.38
    n-decane 0.18
    butyronitrile 30.33
    3,7-dimethyl-1-octanol 5.52
    1-chlorooctane 1.12
    1-chlorotetradecane 0.47
    n-nonane 0.13
    undecane 0.13
    tert-butylcyclohexane 0.08
    cyclooctane 0.06
    cyclopentanol 32.06
    tetrahydropyran 32.28
    tert-amyl methyl ether 11.98
    2,5,8-trioxanonane 63.2
    1-hexene 0.41
    2-isopropoxyethanol 51.9
    2,2,2-trifluoroethanol 16.45
    methyl butyrate 42.08

    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