Parvisoflavone A

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  • Identifiers

    CAS number
    50277-01-5

    Molecular formula
    C20H16O6

    SMILES
    CC1(C=CC2=C(O1)C=C(C3=C2OC=C(C3=O)C4=C(C=C(C=C4)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 55.11%
    Odorless 37.97%
    Spicy 30.86%
    Burnt 27.74%
    Sweet 25.76%
    Medicinal 25.65%
    Smoky 24.27%
    Fruity 22.57%
    Vanilla 21.51%
    Woody 21.22%

     

    Flavor
    Bitter 96.43%
    Cedarleaf 19.86%
    Parsley 19.2%
    Odorless 19.16%
    Lovage 19.05%
    Sweet-like 18.91%
    Very strong 18.68%
    Ripe apricot 18.58%
    Bland 18.53%
    Indole 18.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.52 (weak base)

    Molecular weight
    352.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    973°C

    Melting point expt.

    • 235 - 239 °C

    Flash point

    • 268.5 ˚C est.

  • Synonyms

    • Parvisoflavone A
    • parvisoflavone
    • CHEMBL469631
    • SCHEMBL30637452
    • CHEBI:175498
    • DTXSID401128073
    • LMPK12050311
    • 50277-01-5
    • 3-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
    • 3-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
    • 3-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI
    • 3-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-ba(2)]dipyran-4-one
    • 50277-01-5

  • Applications

    Parvisoflavone A (CAS 50277-01-5) is a flavone-type compound that is typically evaluated as a synthetic intermediate in organic synthesis and pharmaceutical development, serving as a building block for derivatization and complex synthetic sequences; it is also considered a potential ingredient in cosmetics and personal care (fragrance or colorant components), may be used as an additive in coatings and inks to impart functional attributes, and can act as a precursor for polymer or other functional material platforms, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.61
    methanol 4.32
    isopropanol 3.74
    water 0.0
    ethyl acetate 8.99
    n-propanol 5.43
    acetone 16.63
    n-butanol 4.7
    acetonitrile 7.25
    DMF 64.78
    toluene 1.0
    isobutanol 4.27
    1,4-dioxane 15.55
    methyl acetate 13.44
    THF 93.06
    2-butanone 20.38
    n-pentanol 3.41
    sec-butanol 3.88
    n-hexane 0.04
    ethylene glycol 3.91
    NMP 66.24
    cyclohexane 0.07
    DMSO 201.74
    n-butyl acetate 7.83
    n-octanol 1.93
    chloroform 4.99
    n-propyl acetate 7.87
    acetic acid 14.93
    dichloromethane 3.76
    cyclohexanone 26.37
    propylene glycol 5.7
    isopropyl acetate 6.23
    DMAc 103.25
    2-ethoxyethanol 18.06
    isopentanol 4.73
    n-heptane 0.05
    ethyl formate 7.9
    1,2-dichloroethane 4.49
    n-hexanol 2.36
    2-methoxyethanol 45.51
    isobutyl acetate 5.45
    tetrachloromethane 0.41
    n-pentyl acetate 4.99
    transcutol 41.46
    n-heptanol 2.13
    ethylbenzene 0.63
    MIBK 7.17
    2-propoxyethanol 28.5
    tert-butanol 4.53
    MTBE 2.4
    2-butoxyethanol 12.75
    propionic acid 9.48
    o-xylene 0.77
    formic acid 7.81
    diethyl ether 2.38
    m-xylene 0.77
    p-xylene 0.96
    chlorobenzene 1.39
    dimethyl carbonate 12.03
    n-octane 0.03
    formamide 14.26
    cyclopentanone 52.96
    2-pentanone 11.96
    anisole 4.08
    cyclopentyl methyl ether 10.1
    gamma-butyrolactone 57.18
    1-methoxy-2-propanol 33.37
    pyridine 13.65
    3-pentanone 8.09
    furfural 27.53
    n-dodecane 0.07
    diethylene glycol 27.23
    diisopropyl ether 0.67
    tert-amyl alcohol 4.23
    acetylacetone 18.19
    n-hexadecane 0.08
    acetophenone 7.34
    methyl propionate 14.94
    isopentyl acetate 7.95
    trichloroethylene 12.38
    n-nonanol 2.2
    cyclohexanol 4.89
    benzyl alcohol 5.88
    2-ethylhexanol 2.1
    isooctanol 2.09
    dipropyl ether 2.81
    1,2-dichlorobenzene 1.54
    ethyl lactate 9.09
    propylene carbonate 16.32
    n-methylformamide 24.1
    2-pentanol 2.27
    n-pentane 0.03
    1-propoxy-2-propanol 18.01
    1-methoxy-2-propyl acetate 18.29
    2-(2-methoxypropoxy) propanol 16.91
    mesitylene 0.45
    ε-caprolactone 23.8
    p-cymene 0.87
    epichlorohydrin 54.51
    1,1,1-trichloroethane 3.01
    2-aminoethanol 6.66
    morpholine-4-carbaldehyde 54.69
    sulfolane 94.7
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 19.26
    n-hexyl acetate 6.24
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 19.92
    sec-butyl acetate 5.39
    tert-butyl acetate 6.76
    decalin 0.09
    glycerin 17.49
    diglyme 35.78
    acrylic acid 10.89
    isopropyl myristate 3.1
    n-butyric acid 12.04
    acetyl acetate 5.75
    di(2-ethylhexyl) phthalate 4.74
    ethyl propionate 8.59
    nitromethane 46.52
    1,2-diethoxyethane 8.33
    benzonitrile 5.72
    trioctyl phosphate 3.54
    1-bromopropane 1.78
    gamma-valerolactone 69.91
    n-decanol 1.71
    triethyl phosphate 5.46
    4-methyl-2-pentanol 1.81
    propionitrile 7.96
    vinylene carbonate 13.32
    1,1,2-trichlorotrifluoroethane 40.16
    DMS 10.45
    cumene 0.51
    2-octanol 1.31
    2-hexanone 9.09
    octyl acetate 4.2
    limonene 1.18
    1,2-dimethoxyethane 32.46
    ethyl orthosilicate 4.49
    tributyl phosphate 4.46
    diacetone alcohol 18.29
    N,N-dimethylaniline 3.05
    acrylonitrile 13.09
    aniline 4.36
    1,3-propanediol 12.6
    bromobenzene 1.04
    dibromomethane 1.79
    1,1,2,2-tetrachloroethane 11.72
    2-methyl-cyclohexyl acetate 6.73
    tetrabutyl urea 7.59
    diisobutyl methanol 1.5
    2-phenylethanol 6.32
    styrene 0.67
    dioctyl adipate 6.22
    dimethyl sulfate 28.11
    ethyl butyrate 6.94
    methyl lactate 19.13
    butyl lactate 8.07
    diethyl carbonate 5.32
    propanediol butyl ether 10.11
    triethyl orthoformate 6.5
    p-tert-butyltoluene 0.74
    methyl 4-tert-butylbenzoate 8.73
    morpholine 29.98
    tert-butylamine 1.15
    n-dodecanol 1.31
    dimethoxymethane 33.59
    ethylene carbonate 11.44
    cyrene 19.08
    2-ethoxyethyl acetate 10.02
    2-ethylhexyl acetate 5.84
    1,2,4-trichlorobenzene 3.23
    4-methylpyridine 11.13
    dibutyl ether 2.31
    2,6-dimethyl-4-heptanol 1.5
    DEF 18.31
    dimethyl isosorbide 29.96
    tetrachloroethylene 4.42
    eugenol 9.81
    triacetin 10.18
    span 80 10.04
    1,4-butanediol 4.03
    1,1-dichloroethane 3.08
    2-methyl-1-pentanol 3.55
    methyl formate 17.29
    2-methyl-1-butanol 4.48
    n-decane 0.1
    butyronitrile 6.39
    3,7-dimethyl-1-octanol 2.28
    1-chlorooctane 0.62
    1-chlorotetradecane 0.33
    n-nonane 0.06
    undecane 0.08
    tert-butylcyclohexane 0.07
    cyclooctane 0.03
    cyclopentanol 8.88
    tetrahydropyran 10.36
    tert-amyl methyl ether 2.78
    2,5,8-trioxanonane 26.94
    1-hexene 0.3
    2-isopropoxyethanol 11.03
    2,2,2-trifluoroethanol 5.19
    methyl butyrate 12.16

    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