Fustin

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  • Identifiers

    CAS number
    20725-03-5

    Molecular formula
    C15H12O6

    SMILES
    C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(O2)C=C(C=C3)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 64.11%
    Phenolic 54.68%
    Burnt 36.11%
    Vanilla 35.37%
    Spicy 27.7%
    Smoky 27.49%
    Balsamic 23.35%
    Medicinal 23.15%
    Savory 22.45%
    Bitter 22.29%

     

    Flavor
    Bitter 92.5%
    Odorless 24.01%
    Bland 23.49%
    Sweet-like 22.66%
    Cedarleaf 19.96%
    Lovage 19.81%
    Eugenol 19.33%
    Parsley 19.3%
    Nitrile 19.21%
    Very strong 18.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    9.66 (weak base)

    Molecular weight
    288.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    731°C

    Flash point

    • 248.4 ˚C est.

  • Synonyms

    • Fustin
    • 2,3-Dihydrofisetin
    • (2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one
    • 4994C1X19A
    • NSC-59264
    • (2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-4-one
    • CHEBI:5202
    • RefChem:36942
    • 243-989-6
    • 20725-03-5
    • (+)-Fustin
    • Fustin, (+)-
    • 4382-36-9
    • Fustin (2R,3R)-form [MI]
    • (+/-)-Fustin
    • Tetrahydroxyflavanone
    • C308QR79UE
    • CHEMBL470267
    • Flavanone, 3,3',4',7-tetrahydroxy-, (+)-
    • MFCD00075647
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-, (2R,3R)-rel-
    • (2R,3R)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-, (2R,3R)-
    • (2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydro-4H-1-benzopyran-4-one
    • AC1NSVLG
    • UNII-C308QR79UE
    • 3,3',4',7-tetrahydroxyflavanone
    • UNII-4994C1X19A
    • (+)-trans-fustin
    • EINECS 243-989-6
    • NSC 59264
    • (2R,3R)-fustin
    • fustin (2R,3R)-form
    • FUSTIN [MI]
    • (+)-2,3-dihydrofisetin
    • 2,3-TRANS-FUSTIN
    • SureCN13640269
    • Ambap20725-03-5
    • orb1684598
    • SCHEMBL13640269
    • SCHEMBL30443589
    • DTXSID70871986
    • FUSTIN, (+/-)-
    • CHEBI:228234
    • FNUPUYFWZXZMIE-LSDHHAIUSA-N
    • DTXSID401136309
    • 3,7,3',4'-Tetrahydroxy-flavanon
    • HY-N8376
    • AKOS032948206
    • trans-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-4-benzopyrone
    • FS-9541
    • FT66081
    • (+)-3,3',4',7-tetrahydroxyflavanone
    • DA-49257
    • CS-0143760
    • (2R,3R)-3,7,3',4'-tetrahydroxyflavanone
    • C01378
    • Flavanone, 3,3',4',7-tetrahydroxy- (VAN)
    • G77035
    • Q5510352
    • TRANS-(+/-)-3,3',4',7-TETRAHYDROXYFLAVANONE
    • (2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxychroman-4-one
    • (2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydro-4H-chromen-4-one
    • (2R-trans)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-,(2R,3R)-rel-
    • 4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-3,7-DIHYDROXY-, (2R-TRANS)-
    • 20725-03-5

  • Applications

    Fustin (CAS 20725-03-5) is a natural flavonoid commonly evaluated as an intermediate in organic synthesis; in cosmetics and personal care, it is often considered as an antioxidant additive and formulation stabilizer; in pharmaceutical research, it serves as a scaffold for medicinal chemistry and lead discovery; in polymers and coatings, it shows potential as an antioxidant/UV-stabilizing component for polymer formulations; in agriculture, it is examined as a bioactive with potential agricultural applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.27
    methanol 63.3
    isopropanol 40.69
    water 0.85
    ethyl acetate 21.93
    n-propanol 37.53
    acetone 42.74
    n-butanol 24.96
    acetonitrile 12.75
    DMF 192.83
    toluene 1.42
    isobutanol 11.77
    1,4-dioxane 64.93
    methyl acetate 20.66
    THF 211.35
    2-butanone 37.6
    n-pentanol 9.75
    sec-butanol 26.91
    n-hexane 0.04
    ethylene glycol 77.78
    NMP 48.12
    cyclohexane 0.11
    DMSO 446.79
    n-butyl acetate 4.6
    n-octanol 9.56
    chloroform 0.07
    n-propyl acetate 8.02
    acetic acid 44.79
    dichloromethane 0.09
    cyclohexanone 27.43
    propylene glycol 51.03
    isopropyl acetate 16.85
    DMAc 202.46
    2-ethoxyethanol 173.32
    isopentanol 19.05
    n-heptane 0.3
    ethyl formate 14.1
    1,2-dichloroethane 0.48
    n-hexanol 7.73
    2-methoxyethanol 357.31
    isobutyl acetate 2.06
    tetrachloromethane 0.09
    n-pentyl acetate 7.29
    transcutol 122.73
    n-heptanol 9.77
    ethylbenzene 0.68
    MIBK 17.29
    2-propoxyethanol 72.96
    tert-butanol 55.16
    MTBE 14.0
    2-butoxyethanol 31.87
    propionic acid 20.06
    o-xylene 1.55
    formic acid 81.05
    diethyl ether 12.65
    m-xylene 1.41
    p-xylene 0.72
    chlorobenzene 0.34
    dimethyl carbonate 24.65
    n-octane 0.22
    formamide 200.52
    cyclopentanone 51.43
    2-pentanone 33.23
    anisole 7.45
    cyclopentyl methyl ether 22.87
    gamma-butyrolactone 55.34
    1-methoxy-2-propanol 223.02
    pyridine 13.35
    3-pentanone 12.49
    furfural 29.58
    n-dodecane 0.28
    diethylene glycol 113.03
    diisopropyl ether 2.78
    tert-amyl alcohol 33.51
    acetylacetone 63.58
    n-hexadecane 0.33
    acetophenone 8.53
    methyl propionate 27.99
    isopentyl acetate 5.23
    trichloroethylene 0.81
    n-nonanol 10.15
    cyclohexanol 14.32
    benzyl alcohol 10.71
    2-ethylhexanol 4.43
    isooctanol 7.23
    dipropyl ether 9.31
    1,2-dichlorobenzene 0.43
    ethyl lactate 17.73
    propylene carbonate 11.27
    n-methylformamide 99.62
    2-pentanol 17.17
    n-pentane 0.08
    1-propoxy-2-propanol 43.43
    1-methoxy-2-propyl acetate 23.53
    2-(2-methoxypropoxy) propanol 37.0
    mesitylene 1.04
    ε-caprolactone 22.23
    p-cymene 1.23
    epichlorohydrin 41.28
    1,1,1-trichloroethane 0.25
    2-aminoethanol 88.69
    morpholine-4-carbaldehyde 99.53
    sulfolane 81.21
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 33.61
    n-hexyl acetate 10.38
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 52.66
    sec-butyl acetate 5.02
    tert-butyl acetate 22.88
    decalin 0.11
    glycerin 141.26
    diglyme 89.84
    acrylic acid 21.4
    isopropyl myristate 5.64
    n-butyric acid 23.19
    acetyl acetate 10.22
    di(2-ethylhexyl) phthalate 5.34
    ethyl propionate 9.9
    nitromethane 119.75
    1,2-diethoxyethane 23.73
    benzonitrile 3.45
    trioctyl phosphate 5.15
    1-bromopropane 0.25
    gamma-valerolactone 101.33
    n-decanol 7.64
    triethyl phosphate 5.41
    4-methyl-2-pentanol 8.59
    propionitrile 8.71
    vinylene carbonate 8.29
    1,1,2-trichlorotrifluoroethane 44.95
    DMS 10.22
    cumene 0.54
    2-octanol 6.7
    2-hexanone 9.18
    octyl acetate 7.85
    limonene 1.93
    1,2-dimethoxyethane 142.75
    ethyl orthosilicate 5.18
    tributyl phosphate 4.91
    diacetone alcohol 69.11
    N,N-dimethylaniline 5.62
    acrylonitrile 14.9
    aniline 7.26
    1,3-propanediol 127.45
    bromobenzene 0.18
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 1.26
    2-methyl-cyclohexyl acetate 5.43
    tetrabutyl urea 10.13
    diisobutyl methanol 4.7
    2-phenylethanol 8.6
    styrene 0.69
    dioctyl adipate 8.84
    dimethyl sulfate 43.85
    ethyl butyrate 6.97
    methyl lactate 54.25
    butyl lactate 11.74
    diethyl carbonate 4.76
    propanediol butyl ether 32.96
    triethyl orthoformate 7.8
    p-tert-butyltoluene 1.44
    methyl 4-tert-butylbenzoate 14.92
    morpholine 116.4
    tert-butylamine 9.29
    n-dodecanol 5.49
    dimethoxymethane 197.62
    ethylene carbonate 8.26
    cyrene 32.94
    2-ethoxyethyl acetate 15.76
    2-ethylhexyl acetate 2.97
    1,2,4-trichlorobenzene 0.91
    4-methylpyridine 8.54
    dibutyl ether 7.04
    2,6-dimethyl-4-heptanol 4.7
    DEF 44.12
    dimethyl isosorbide 42.54
    tetrachloroethylene 1.03
    eugenol 16.78
    triacetin 16.1
    span 80 20.82
    1,4-butanediol 37.99
    1,1-dichloroethane 0.17
    2-methyl-1-pentanol 7.31
    methyl formate 59.43
    2-methyl-1-butanol 14.3
    n-decane 0.5
    butyronitrile 7.8
    3,7-dimethyl-1-octanol 7.11
    1-chlorooctane 1.8
    1-chlorotetradecane 0.84
    n-nonane 0.38
    undecane 0.38
    tert-butylcyclohexane 0.09
    cyclooctane 0.11
    cyclopentanol 20.54
    tetrahydropyran 25.36
    tert-amyl methyl ether 13.94
    2,5,8-trioxanonane 69.04
    1-hexene 0.24
    2-isopropoxyethanol 60.27
    2,2,2-trifluoroethanol 17.84
    methyl butyrate 12.79

    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