5,7-Dihydroxy-3',4',5'-trimethoxyflavanone

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  • Identifiers

    CAS number
    62252-10-2

    Molecular formula
    C18H18O7

    SMILES
    COC1=CC(=CC(=C1OC)OC)C2CC(=O)C3=C(C=C(C=C3O2)O)O

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 50.01%
    Phenolic 48.65%
    Sweet 47.65%
    Spicy 44.04%
    Odorless 34.87%
    Balsamic 32.83%
    Smoky 30.91%
    Creamy 30.68%
    Powdery 30.49%
    Woody 29.9%

     

    Flavor
    Bitter 85.36%
    Bland 27.81%
    Parsley 21.85%
    Cedarleaf 20.6%
    Sweet-like 20.33%
    Lovage 20.1%
    Eugenol 19.95%
    Odorless 19.32%
    Ripe apricot 19.28%
    Red fruit 19.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.04 (weak base)

    Molecular weight
    346.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    771°C

    Flash point

    • 209.75 ˚C est.

  • Synonyms

    • 62252-10-2
    • 5,7-Dihydroxy-3',4',5'-trimethoxyflavanone
    • 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one
    • DTXSID30332740
    • RefChem:298843
    • DTXCID20283833
    • 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chroman-4-one
    • MFCD00017471
    • 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
    • CHEMBL482776
    • orb1683460
    • SCHEMBL5084370
    • 5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4-chromanone
    • CTALFFOVOLJORS-UHFFFAOYSA-N
    • AKOS027381302
    • 5,7-OH-3',4',5'-triMeO Flavone
    • FD157032
    • DB-054108
    • CS-0159120
    • ST50331523
    • 5,7-Dihydroxy-3',4',5'-trimethoxy flavanone
    • 5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-4H-chromen-4-one #
    • 5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
    • 62252-10-2

  • Applications

    5,7-Dihydroxy-3',4',5'-trimethoxyflavanone is primarily studied as a synthetic intermediate in pharmaceutical and organic synthesis, and it shows potential for practical applications in cosmetics and personal care as an antioxidant or stabilizing component in formulations; in coatings and inks, it can be considered as an optical and oxidative stabilizer additive; in the polymers/plastics sector, it may serve as an antioxidant/stabilizer additive for plastics and composites; it is also evaluated as a precursor for the synthesis of other flavonoid-like compounds in pharmaceutical research; and in the fragrance industry, it may be used as a fragrance intermediate or scent ingredient.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.69
    methanol 4.36
    isopropanol 2.5
    water 0.0
    ethyl acetate 15.87
    n-propanol 3.14
    acetone 36.29
    n-butanol 2.9
    acetonitrile 18.14
    DMF 96.06
    toluene 1.24
    isobutanol 2.66
    1,4-dioxane 24.65
    methyl acetate 20.64
    THF 70.98
    2-butanone 26.09
    n-pentanol 3.59
    sec-butanol 2.73
    n-hexane 0.1
    ethylene glycol 3.44
    NMP 79.73
    cyclohexane 0.16
    DMSO 342.34
    n-butyl acetate 10.04
    n-octanol 3.77
    chloroform 15.51
    n-propyl acetate 11.79
    acetic acid 19.07
    dichloromethane 19.25
    cyclohexanone 34.62
    propylene glycol 2.76
    isopropyl acetate 8.93
    DMAc 121.83
    2-ethoxyethanol 21.44
    isopentanol 3.66
    n-heptane 0.22
    ethyl formate 14.89
    1,2-dichloroethane 17.9
    n-hexanol 3.49
    2-methoxyethanol 34.09
    isobutyl acetate 6.38
    tetrachloromethane 1.46
    n-pentyl acetate 6.86
    transcutol 30.74
    n-heptanol 3.04
    ethylbenzene 1.14
    MIBK 10.21
    2-propoxyethanol 25.16
    tert-butanol 5.27
    MTBE 3.37
    2-butoxyethanol 12.96
    propionic acid 8.93
    o-xylene 1.45
    formic acid 10.73
    diethyl ether 3.93
    m-xylene 1.32
    p-xylene 1.76
    chlorobenzene 3.98
    dimethyl carbonate 18.54
    n-octane 0.14
    formamide 27.12
    cyclopentanone 62.93
    2-pentanone 18.08
    anisole 6.04
    cyclopentyl methyl ether 11.0
    gamma-butyrolactone 76.88
    1-methoxy-2-propanol 22.34
    pyridine 14.76
    3-pentanone 13.66
    furfural 50.47
    n-dodecane 0.21
    diethylene glycol 30.34
    diisopropyl ether 1.22
    tert-amyl alcohol 4.28
    acetylacetone 36.89
    n-hexadecane 0.26
    acetophenone 11.55
    methyl propionate 20.22
    isopentyl acetate 9.37
    trichloroethylene 33.52
    n-nonanol 4.02
    cyclohexanol 4.31
    benzyl alcohol 7.03
    2-ethylhexanol 3.39
    isooctanol 3.0
    dipropyl ether 4.65
    1,2-dichlorobenzene 5.73
    ethyl lactate 11.35
    propylene carbonate 24.45
    n-methylformamide 31.13
    2-pentanol 1.95
    n-pentane 0.08
    1-propoxy-2-propanol 16.2
    1-methoxy-2-propyl acetate 18.92
    2-(2-methoxypropoxy) propanol 19.11
    mesitylene 0.96
    ε-caprolactone 27.69
    p-cymene 1.86
    epichlorohydrin 76.96
    1,1,1-trichloroethane 7.73
    2-aminoethanol 4.14
    morpholine-4-carbaldehyde 64.06
    sulfolane 127.06
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 17.92
    n-hexyl acetate 9.28
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 18.93
    sec-butyl acetate 6.19
    tert-butyl acetate 10.39
    decalin 0.2
    glycerin 11.61
    diglyme 41.87
    acrylic acid 12.16
    isopropyl myristate 4.64
    n-butyric acid 10.84
    acetyl acetate 14.23
    di(2-ethylhexyl) phthalate 6.86
    ethyl propionate 11.39
    nitromethane 96.05
    1,2-diethoxyethane 10.38
    benzonitrile 9.82
    trioctyl phosphate 5.12
    1-bromopropane 3.87
    gamma-valerolactone 77.16
    n-decanol 3.04
    triethyl phosphate 8.75
    4-methyl-2-pentanol 1.96
    propionitrile 11.34
    vinylene carbonate 23.13
    1,1,2-trichlorotrifluoroethane 54.7
    DMS 13.64
    cumene 1.08
    2-octanol 2.21
    2-hexanone 13.39
    octyl acetate 6.1
    limonene 2.53
    1,2-dimethoxyethane 45.63
    ethyl orthosilicate 6.82
    tributyl phosphate 6.58
    diacetone alcohol 18.9
    N,N-dimethylaniline 4.72
    acrylonitrile 21.37
    aniline 4.06
    1,3-propanediol 7.27
    bromobenzene 3.2
    dibromomethane 8.43
    1,1,2,2-tetrachloroethane 25.53
    2-methyl-cyclohexyl acetate 9.43
    tetrabutyl urea 10.45
    diisobutyl methanol 2.45
    2-phenylethanol 8.01
    styrene 1.25
    dioctyl adipate 9.47
    dimethyl sulfate 51.2
    ethyl butyrate 10.28
    methyl lactate 19.3
    butyl lactate 8.28
    diethyl carbonate 8.39
    propanediol butyl ether 10.31
    triethyl orthoformate 8.24
    p-tert-butyltoluene 1.64
    methyl 4-tert-butylbenzoate 14.03
    morpholine 27.59
    tert-butylamine 1.5
    n-dodecanol 2.35
    dimethoxymethane 48.61
    ethylene carbonate 19.22
    cyrene 26.14
    2-ethoxyethyl acetate 13.61
    2-ethylhexyl acetate 7.22
    1,2,4-trichlorobenzene 7.56
    4-methylpyridine 12.52
    dibutyl ether 4.17
    2,6-dimethyl-4-heptanol 2.45
    DEF 25.79
    dimethyl isosorbide 35.29
    tetrachloroethylene 14.39
    eugenol 13.69
    triacetin 16.1
    span 80 11.55
    1,4-butanediol 4.04
    1,1-dichloroethane 7.39
    2-methyl-1-pentanol 3.69
    methyl formate 33.58
    2-methyl-1-butanol 3.15
    n-decane 0.34
    butyronitrile 8.3
    3,7-dimethyl-1-octanol 3.91
    1-chlorooctane 2.04
    1-chlorotetradecane 0.92
    n-nonane 0.27
    undecane 0.26
    tert-butylcyclohexane 0.18
    cyclooctane 0.09
    cyclopentanol 6.56
    tetrahydropyran 10.48
    tert-amyl methyl ether 3.72
    2,5,8-trioxanonane 32.22
    1-hexene 0.54
    2-isopropoxyethanol 13.25
    2,2,2-trifluoroethanol 15.29
    methyl butyrate 16.02

    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