(2R,3R)-3,3',5,7-Tetrahydroxy-4'-methoxyflavanone

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  • Identifiers

    CAS number
    70411-27-7

    Molecular formula
    C16H14O7

    SMILES
    COC1=C(C=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 61.23%
    Phenolic 49.68%
    Vanilla 41.4%
    Sweet 29.72%
    Spicy 29.34%
    Burnt 28.86%
    Smoky 26.72%
    Balsamic 25.19%
    Creamy 24.31%
    Milky 22.85%

     

    Flavor
    Bitter 89.56%
    Bland 28.2%
    Odorless 25.84%
    Sweet-like 22.73%
    Cedarleaf 20.56%
    Parsley 20.51%
    Eugenol 20.14%
    Lovage 20.05%
    Ripe apricot 19.04%
    Ethyl benzoate 19.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    9.47 (weak base)

    Molecular weight
    318.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    828°C

    Flash point

    • 246.75 ˚C est.

  • Synonyms

    • (2R,3R)-3,3',5,7-Tetrahydroxy-4'-methoxyflavanone
    • (2R,3R)-3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
    • RefChem:1049873
    • Dihydrotamarixetin
    • 70411-27-7
    • 4'-O-Methyldihydroquercetin; Blumeatin A
    • MEGxp0_001397
    • orb1682751
    • SCHEMBL30256267
    • HY-N2641
    • AKOS032962462
    • FS-8980
    • DB-331978
    • CS-0023059
    • E87114
    • (2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
    • 70411-27-7

  • Applications

    The compound (2R,3R)-3,3',5,7-Tetrahydroxy-4'-methoxyflavanone (CAS 70411-27-7) is primarily used as an intermediate in the synthesis of flavonoid derivatives for pharmaceutical and agricultural development; in cosmetics and personal care, it may serve as an antioxidant ingredient and a building block for formulations; in materials science it can be explored as a polyphenolic building block for coatings, polymers, and composites with antioxidant or UV-stabilizing properties; and it may be evaluated as a precursor in fragrance/flavor chemistry, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.86
    methanol 48.24
    isopropanol 22.75
    water 0.02
    ethyl acetate 26.43
    n-propanol 30.49
    acetone 59.49
    n-butanol 21.16
    acetonitrile 15.05
    DMF 294.15
    toluene 0.76
    isobutanol 11.09
    1,4-dioxane 38.02
    methyl acetate 22.75
    THF 233.24
    2-butanone 51.16
    n-pentanol 8.84
    sec-butanol 18.55
    n-hexane 0.08
    ethylene glycol 27.35
    NMP 117.32
    cyclohexane 0.12
    DMSO 1259.8
    n-butyl acetate 6.82
    n-octanol 4.53
    chloroform 0.95
    n-propyl acetate 9.99
    acetic acid 40.76
    dichloromethane 1.37
    cyclohexanone 40.26
    propylene glycol 28.14
    isopropyl acetate 12.75
    DMAc 233.37
    2-ethoxyethanol 106.44
    isopentanol 12.07
    n-heptane 0.21
    ethyl formate 18.28
    1,2-dichloroethane 3.34
    n-hexanol 6.32
    2-methoxyethanol 293.12
    isobutyl acetate 2.35
    tetrachloromethane 0.24
    n-pentyl acetate 5.1
    transcutol 71.6
    n-heptanol 4.68
    ethylbenzene 0.44
    MIBK 13.33
    2-propoxyethanol 69.52
    tert-butanol 26.26
    MTBE 6.8
    2-butoxyethanol 20.42
    propionic acid 19.11
    o-xylene 0.86
    formic acid 51.72
    diethyl ether 14.41
    m-xylene 0.72
    p-xylene 0.44
    chlorobenzene 0.51
    dimethyl carbonate 25.1
    n-octane 0.11
    formamide 130.02
    cyclopentanone 92.55
    2-pentanone 43.96
    anisole 4.82
    cyclopentyl methyl ether 21.93
    gamma-butyrolactone 87.12
    1-methoxy-2-propanol 195.33
    pyridine 11.31
    3-pentanone 21.83
    furfural 43.8
    n-dodecane 0.12
    diethylene glycol 86.96
    diisopropyl ether 1.75
    tert-amyl alcohol 16.54
    acetylacetone 54.35
    n-hexadecane 0.14
    acetophenone 7.11
    methyl propionate 38.82
    isopentyl acetate 5.16
    trichloroethylene 4.88
    n-nonanol 4.64
    cyclohexanol 10.52
    benzyl alcohol 6.45
    2-ethylhexanol 3.44
    isooctanol 3.42
    dipropyl ether 7.3
    1,2-dichlorobenzene 0.7
    ethyl lactate 14.99
    propylene carbonate 15.94
    n-methylformamide 139.85
    2-pentanol 11.58
    n-pentane 0.13
    1-propoxy-2-propanol 37.75
    1-methoxy-2-propyl acetate 22.57
    2-(2-methoxypropoxy) propanol 24.07
    mesitylene 0.52
    ε-caprolactone 28.66
    p-cymene 0.79
    epichlorohydrin 80.22
    1,1,1-trichloroethane 1.0
    2-aminoethanol 47.43
    morpholine-4-carbaldehyde 109.47
    sulfolane 177.38
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 34.97
    n-hexyl acetate 7.43
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 29.96
    sec-butyl acetate 4.68
    tert-butyl acetate 14.0
    decalin 0.08
    glycerin 89.13
    diglyme 64.14
    acrylic acid 19.27
    isopropyl myristate 3.0
    n-butyric acid 24.43
    acetyl acetate 9.76
    di(2-ethylhexyl) phthalate 3.57
    ethyl propionate 12.23
    nitromethane 147.83
    1,2-diethoxyethane 14.19
    benzonitrile 3.14
    trioctyl phosphate 3.4
    1-bromopropane 1.63
    gamma-valerolactone 129.21
    n-decanol 3.37
    triethyl phosphate 5.47
    4-methyl-2-pentanol 4.82
    propionitrile 13.32
    vinylene carbonate 11.55
    1,1,2-trichlorotrifluoroethane 62.24
    DMS 8.51
    cumene 0.36
    2-octanol 3.0
    2-hexanone 12.03
    octyl acetate 4.57
    limonene 1.43
    1,2-dimethoxyethane 109.89
    ethyl orthosilicate 4.61
    tributyl phosphate 3.61
    diacetone alcohol 47.72
    N,N-dimethylaniline 3.73
    acrylonitrile 21.86
    aniline 4.31
    1,3-propanediol 76.06
    bromobenzene 0.32
    dibromomethane 0.69
    1,1,2,2-tetrachloroethane 5.05
    2-methyl-cyclohexyl acetate 4.69
    tetrabutyl urea 6.75
    diisobutyl methanol 2.55
    2-phenylethanol 5.9
    styrene 0.44
    dioctyl adipate 6.06
    dimethyl sulfate 58.08
    ethyl butyrate 8.47
    methyl lactate 49.55
    butyl lactate 8.02
    diethyl carbonate 5.2
    propanediol butyl ether 18.44
    triethyl orthoformate 7.39
    p-tert-butyltoluene 0.84
    methyl 4-tert-butylbenzoate 10.1
    morpholine 88.15
    tert-butylamine 4.55
    n-dodecanol 2.35
    dimethoxymethane 192.77
    ethylene carbonate 11.06
    cyrene 27.97
    2-ethoxyethyl acetate 10.36
    2-ethylhexyl acetate 3.29
    1,2,4-trichlorobenzene 1.32
    4-methylpyridine 7.79
    dibutyl ether 3.8
    2,6-dimethyl-4-heptanol 2.55
    DEF 57.09
    dimethyl isosorbide 37.57
    tetrachloroethylene 2.85
    eugenol 10.97
    triacetin 11.33
    span 80 13.75
    1,4-butanediol 16.52
    1,1-dichloroethane 1.22
    2-methyl-1-pentanol 5.27
    methyl formate 75.59
    2-methyl-1-butanol 10.92
    n-decane 0.22
    butyronitrile 9.94
    3,7-dimethyl-1-octanol 3.55
    1-chlorooctane 1.17
    1-chlorotetradecane 0.47
    n-nonane 0.18
    undecane 0.16
    tert-butylcyclohexane 0.08
    cyclooctane 0.08
    cyclopentanol 20.24
    tetrahydropyran 21.06
    tert-amyl methyl ether 7.67
    2,5,8-trioxanonane 45.89
    1-hexene 0.45
    2-isopropoxyethanol 35.97
    2,2,2-trifluoroethanol 17.52
    methyl butyrate 17.98

    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