Pomiferin

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  • Identifiers

    CAS number
    572-03-2

    Molecular formula
    C25H24O6

    SMILES
    CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC(=C(C=C4)O)O)C=CC(O2)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 52.69%
    Spicy 46.15%
    Smoky 31.72%
    Woody 31.36%
    Burnt 28.64%
    Dry 26.97%
    Fruity 26.96%
    Sweet 26.34%
    Medicinal 25.38%
    Odorless 25.06%

     

    Flavor
    Bitter 93.3%
    Cedarleaf 19.83%
    Parsley 19.56%
    Lovage 19.2%
    Bland 18.32%
    Ripe apricot 18.15%
    Red fruit 18.13%
    Eugenol 18.06%
    Sweet-like 17.96%
    Nitrile 17.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    9.77 (weak base)

    Molecular weight
    420.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1444°C

    Flash point

    • 262.95 ˚C est.

  • Synonyms

    • pomiferin
    • 572-03-2
    • NSC-5113
    • 74YIS40APM
    • 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
    • 4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-
    • DTXSID00205831
    • 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4H,8H-pyrano(2,3-h)chromen-4-one
    • 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano(2,3-h)chromen-4-one
    • RefChem:175222
    • DTXCID30128322
    • NSC5113
    • MLS002701889
    • CHEBI:8329
    • 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-pyrano[2,3-f]chromen-4-one
    • UNII-74YIS40APM
    • Spectrum_000295
    • AI3-22130
    • 3'-HYDROXYOSAJIN
    • Spectrum2_000799
    • Spectrum3_000685
    • Spectrum4_001808
    • Spectrum5_000515
    • NCIStruc1_001168
    • NCIStruc2_001049
    • BSPBio_002409
    • KBioGR_002419
    • KBioSS_000775
    • SPECTRUM201580
    • DivK1c_000996
    • SPBio_000938
    • CHEMBL393136
    • orb1684301
    • SCHEMBL8059171
    • HMS503G13
    • KBio1_000996
    • KBio2_000775
    • KBio2_003343
    • KBio2_005911
    • KBio3_001629
    • NCI5113
    • NINDS_000996
    • BDBM755081
    • HMS1923A09
    • HY-N4315
    • BDBM50476976
    • CCG-36078
    • CCG-37331
    • LMPK12050244
    • NCGC00013053
    • AKOS037515007
    • FS-8075
    • SDCCGMLS-0066466.P001
    • IDI1_000996
    • US20250213569, Compound 69
    • NCGC00013053-02
    • NCGC00013053-03
    • NCGC00013053-04
    • NCGC00013053-05
    • NCGC00013053-06
    • NCGC00095220-01
    • NCGC00095220-02
    • NCGC00095220-03
    • NCGC00178667-01
    • DA-56993
    • FP137930
    • NCI60_004233
    • SMR001565475
    • CS-0032736
    • NS00121606
    • SR-05000002658
    • SR-05000002658-1
    • BRD-K50660510-001-04-0
    • Q25323752
    • 3-(3,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
    • 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-4H,8H-pyrano[2,3-f]chromen-4-one
    • 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4H,8H- pyrano[2,3-h]chromen-4-one
    • 4H,2-b:3,4-b']dipyran-4-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-buten-1-yl)-
    • 4H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-4-ONE, 3-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-8,8-DIMETHYL-6-(3-METHYL-2-BUTEN-1-YL)-
    • 572-03-2

  • Applications

    Pomiferin (CAS 572-03-2) is a natural flavonoid compound commonly used as an intermediate or building block in medicinal chemistry and the synthesis of flavonoid derivatives. It is studied for antioxidant and anti-inflammatory activities in cosmetic and personal care research. In analytical laboratories, pomiferin is often employed as a reference standard for LC-MS/UHPLC analysis of natural product extracts. Additionally, it is evaluated in basic pharmacology research for its bioactive properties, supporting investigations into structure–activity relationships of flavonoids.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.64
    methanol 4.58
    isopropanol 3.25
    water 0.01
    ethyl acetate 8.05
    n-propanol 5.08
    acetone 14.02
    n-butanol 3.79
    acetonitrile 4.54
    DMF 48.31
    toluene 2.86
    isobutanol 3.67
    1,4-dioxane 19.14
    methyl acetate 12.56
    THF 61.56
    2-butanone 18.6
    n-pentanol 3.95
    sec-butanol 3.75
    n-hexane 0.11
    ethylene glycol 2.99
    NMP 65.43
    cyclohexane 0.15
    DMSO 55.39
    n-butyl acetate 9.27
    n-octanol 3.4
    chloroform 22.85
    n-propyl acetate 8.57
    acetic acid 20.84
    dichloromethane 15.71
    cyclohexanone 27.21
    propylene glycol 6.38
    isopropyl acetate 7.04
    DMAc 88.43
    2-ethoxyethanol 16.33
    isopentanol 3.91
    n-heptane 0.15
    ethyl formate 6.32
    1,2-dichloroethane 10.87
    n-hexanol 3.75
    2-methoxyethanol 27.5
    isobutyl acetate 7.15
    tetrachloromethane 1.02
    n-pentyl acetate 10.15
    transcutol 63.12
    n-heptanol 3.94
    ethylbenzene 1.6
    MIBK 7.7
    2-propoxyethanol 28.61
    tert-butanol 4.4
    MTBE 3.66
    2-butoxyethanol 17.87
    propionic acid 11.09
    o-xylene 1.96
    formic acid 6.94
    diethyl ether 3.17
    m-xylene 1.83
    p-xylene 2.67
    chlorobenzene 4.29
    dimethyl carbonate 14.44
    n-octane 0.1
    formamide 9.95
    cyclopentanone 47.14
    2-pentanone 10.58
    anisole 6.59
    cyclopentyl methyl ether 10.97
    gamma-butyrolactone 49.74
    1-methoxy-2-propanol 26.55
    pyridine 21.02
    3-pentanone 9.4
    furfural 31.76
    n-dodecane 0.16
    diethylene glycol 22.93
    diisopropyl ether 1.05
    tert-amyl alcohol 4.44
    acetylacetone 18.72
    n-hexadecane 0.19
    acetophenone 10.91
    methyl propionate 13.96
    isopentyl acetate 10.58
    trichloroethylene 34.52
    n-nonanol 3.81
    cyclohexanol 4.51
    benzyl alcohol 8.19
    2-ethylhexanol 2.99
    isooctanol 3.84
    dipropyl ether 4.14
    1,2-dichlorobenzene 4.76
    ethyl lactate 9.61
    propylene carbonate 17.49
    n-methylformamide 14.39
    2-pentanol 2.41
    n-pentane 0.09
    1-propoxy-2-propanol 20.02
    1-methoxy-2-propyl acetate 21.36
    2-(2-methoxypropoxy) propanol 22.23
    mesitylene 0.99
    ε-caprolactone 25.12
    p-cymene 1.75
    epichlorohydrin 54.74
    1,1,1-trichloroethane 7.16
    2-aminoethanol 5.76
    morpholine-4-carbaldehyde 59.05
    sulfolane 83.39
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 15.94
    n-hexyl acetate 10.49
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 27.39
    sec-butyl acetate 6.5
    tert-butyl acetate 9.1
    decalin 0.18
    glycerin 15.11
    diglyme 40.98
    acrylic acid 13.84
    isopropyl myristate 4.94
    n-butyric acid 11.04
    acetyl acetate 7.6
    di(2-ethylhexyl) phthalate 8.05
    ethyl propionate 8.17
    nitromethane 37.48
    1,2-diethoxyethane 14.07
    benzonitrile 7.11
    trioctyl phosphate 5.59
    1-bromopropane 3.68
    gamma-valerolactone 79.07
    n-decanol 2.89
    triethyl phosphate 5.99
    4-methyl-2-pentanol 2.18
    propionitrile 5.97
    vinylene carbonate 16.26
    1,1,2-trichlorotrifluoroethane 51.06
    DMS 15.81
    cumene 1.36
    2-octanol 2.68
    2-hexanone 9.93
    octyl acetate 6.32
    limonene 2.06
    1,2-dimethoxyethane 27.38
    ethyl orthosilicate 5.4
    tributyl phosphate 6.42
    diacetone alcohol 18.75
    N,N-dimethylaniline 5.73
    acrylonitrile 9.95
    aniline 6.82
    1,3-propanediol 8.28
    bromobenzene 3.93
    dibromomethane 7.11
    1,1,2,2-tetrachloroethane 27.93
    2-methyl-cyclohexyl acetate 9.19
    tetrabutyl urea 10.38
    diisobutyl methanol 2.37
    2-phenylethanol 9.57
    styrene 1.97
    dioctyl adipate 9.2
    dimethyl sulfate 28.48
    ethyl butyrate 7.48
    methyl lactate 18.41
    butyl lactate 13.17
    diethyl carbonate 5.56
    propanediol butyl ether 17.31
    triethyl orthoformate 7.78
    p-tert-butyltoluene 1.72
    methyl 4-tert-butylbenzoate 15.26
    morpholine 28.21
    tert-butylamine 1.45
    n-dodecanol 2.16
    dimethoxymethane 30.95
    ethylene carbonate 12.49
    cyrene 25.97
    2-ethoxyethyl acetate 18.42
    2-ethylhexyl acetate 8.02
    1,2,4-trichlorobenzene 8.94
    4-methylpyridine 14.35
    dibutyl ether 3.8
    2,6-dimethyl-4-heptanol 2.37
    DEF 17.19
    dimethyl isosorbide 38.33
    tetrachloroethylene 11.79
    eugenol 15.56
    triacetin 18.6
    span 80 16.91
    1,4-butanediol 3.72
    1,1-dichloroethane 7.52
    2-methyl-1-pentanol 4.21
    methyl formate 13.03
    2-methyl-1-butanol 3.82
    n-decane 0.23
    butyronitrile 4.6
    3,7-dimethyl-1-octanol 3.93
    1-chlorooctane 1.43
    1-chlorotetradecane 0.75
    n-nonane 0.17
    undecane 0.19
    tert-butylcyclohexane 0.17
    cyclooctane 0.07
    cyclopentanol 7.7
    tetrahydropyran 11.31
    tert-amyl methyl ether 3.78
    2,5,8-trioxanonane 31.66
    1-hexene 0.71
    2-isopropoxyethanol 12.47
    2,2,2-trifluoroethanol 6.07
    methyl butyrate 10.72

    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