5,7-Dimethoxyflavanone

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  • Identifiers

    CAS number
    1036-72-2

    Molecular formula
    C17H16O4

    SMILES
    COC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 72.16%
    Spicy 49.01%
    Floral 43.61%
    Vanilla 40.46%
    Herbal 38.32%
    Powdery 35.97%
    Balsamic 35.65%
    Coumarinic 34.22%
    Aromatic 32.58%
    Phenolic 32.23%

     

    Flavor
    Bitter 77.27%
    Herbal 30.54%
    Balsam 25.34%
    Lovage 21.35%
    Parsley 20.99%
    Cedarleaf 20.01%
    Aniseed 19.72%
    Ethyl benzoate 19.7%
    Ripe apricot 19.54%
    Tarragon 19.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.43 (neutral)

    Molecular weight
    284.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    484°C

    Flash point

    • 178.63 ˚C est.

  • Synonyms

    • 5,7-Dimethoxyflavanone
    • 1036-72-2
    • 5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
    • RefChem:935833
    • GlyTouCan:G84450LE
    • G84450LE
    • 5,7-dimethoxy-2-phenylchroman-4-one
    • 5,7-Dimethoxyflavanon
    • Dimethylpinocembrin
    • 36052-66-1
    • Flavanone, 5,7-dimethoxy-
    • NSC661206
    • 5,7-Dimethoxy-2-phenyl-chroman-4-one
    • Pinocembrin 5,7-dimethyl ether
    • alpinetin methyl ether
    • MFCD00143414
    • 5,7-Dimethoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one
    • CHEMBL107131
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2-phenyl-, (2S)-
    • NSC 661206
    • Spectrum_000324
    • 5,7-Dimethoxyflavonone
    • Pinocembrin dimethylether
    • SpecPlus_000873
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2-phenyl-
    • 5,7-Dimethoxylflavanone
    • 5,7-Dimethoxy flavanone
    • Spectrum2_001357
    • Spectrum3_000587
    • Spectrum4_001873
    • Spectrum5_000466
    • BSPBio_002034
    • KBioGR_002369
    • KBioSS_000804
    • DivK1c_006969
    • SPBio_001573
    • (2R)-2,3-Dihydro-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
    • MEGxp0_000558
    • SCHEMBL2879027
    • ACon1_001227
    • KBio1_001913
    • KBio2_000804
    • KBio2_003372
    • KBio2_005940
    • KBio3_001534
    • DTXSID20908493
    • CHEBI:110206
    • IAFBOKYTDSDNHV-UHFFFAOYSA-N
    • 5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
    • BDBM50338969
    • CCG-38839
    • HY-N10879
    • LMPK12140217
    • FP66956
    • FS-7880
    • NSC-661206
    • NCGC00142553-01
    • NCGC00142553-02
    • NCGC00142553-03
    • NCGC00142553-05
    • NCI60_021335
    • ST057643
    • DB-229276
    • CS-0637334
    • SR-05000002541
    • SR-05000002541-1
    • BRD-A90249268-001-03-2
    • BRD-A90249268-001-04-0
    • Q27189587
    • 5,7-Dimethoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one #
    • 5,7-Dimethoxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one
    • 1036-72-2

  • Applications

    5,7-Dimethoxyflavanone is primarily used as an intermediate in the synthesis of flavonoid derivatives and related compounds for pharmaceutical and biomedical research. It also serves as a versatile building block for subsequent functionalization in organic synthesis and medicinal chemistry. The compound is commonly evaluated as a scaffold for developing flavonoid-based frameworks. It may be considered as a precursor for fragrance-related compounds in perfumery and cosmetics research, and as a functionalized aromatic building block for specialized materials or polymer applications. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.56
    methanol 24.64
    isopropanol 15.39
    water 0.03
    ethyl acetate 110.65
    n-propanol 17.08
    acetone 203.99
    n-butanol 14.8
    acetonitrile 150.63
    DMF 265.62
    toluene 56.16
    isobutanol 14.64
    1,4-dioxane 265.43
    methyl acetate 148.73
    THF 398.31
    2-butanone 119.57
    n-pentanol 13.28
    sec-butanol 12.17
    n-hexane 0.72
    ethylene glycol 20.55
    NMP 206.24
    cyclohexane 4.34
    DMSO 673.58
    n-butyl acetate 44.87
    n-octanol 9.24
    chloroform 563.69
    n-propyl acetate 50.5
    acetic acid 84.66
    dichloromethane 601.83
    cyclohexanone 167.18
    propylene glycol 17.16
    isopropyl acetate 51.75
    DMAc 353.5
    2-ethoxyethanol 64.59
    isopentanol 16.39
    n-heptane 1.29
    ethyl formate 78.96
    1,2-dichloroethane 373.45
    n-hexanol 12.97
    2-methoxyethanol 132.85
    isobutyl acetate 34.17
    tetrachloromethane 29.24
    n-pentyl acetate 22.54
    transcutol 206.98
    n-heptanol 7.56
    ethylbenzene 20.0
    MIBK 42.11
    2-propoxyethanol 67.41
    tert-butanol 24.15
    MTBE 22.18
    2-butoxyethanol 32.08
    propionic acid 49.02
    o-xylene 27.28
    formic acid 32.67
    diethyl ether 32.31
    m-xylene 26.85
    p-xylene 27.65
    chlorobenzene 113.53
    dimethyl carbonate 99.21
    n-octane 0.68
    formamide 79.48
    cyclopentanone 267.5
    2-pentanone 72.96
    anisole 65.96
    cyclopentyl methyl ether 77.65
    gamma-butyrolactone 300.32
    1-methoxy-2-propanol 70.71
    pyridine 220.58
    3-pentanone 70.28
    furfural 285.89
    n-dodecane 1.15
    diethylene glycol 85.15
    diisopropyl ether 9.01
    tert-amyl alcohol 15.39
    acetylacetone 179.87
    n-hexadecane 1.43
    acetophenone 70.07
    methyl propionate 105.46
    isopentyl acetate 43.8
    trichloroethylene 691.78
    n-nonanol 9.79
    cyclohexanol 29.92
    benzyl alcohol 53.35
    2-ethylhexanol 12.96
    isooctanol 7.96
    dipropyl ether 20.23
    1,2-dichlorobenzene 103.58
    ethyl lactate 36.82
    propylene carbonate 129.86
    n-methylformamide 113.19
    2-pentanol 8.47
    n-pentane 0.64
    1-propoxy-2-propanol 41.88
    1-methoxy-2-propyl acetate 78.9
    2-(2-methoxypropoxy) propanol 57.56
    mesitylene 14.8
    ε-caprolactone 111.42
    p-cymene 14.52
    epichlorohydrin 473.57
    1,1,1-trichloroethane 194.58
    2-aminoethanol 22.17
    morpholine-4-carbaldehyde 213.17
    sulfolane 343.86
    2,2,4-trimethylpentane 0.9
    2-methyltetrahydrofuran 127.67
    n-hexyl acetate 31.09
    isooctane 0.74
    2-(2-butoxyethoxy)ethanol 61.26
    sec-butyl acetate 32.43
    tert-butyl acetate 51.73
    decalin 2.84
    glycerin 47.39
    diglyme 158.49
    acrylic acid 66.51
    isopropyl myristate 18.06
    n-butyric acid 53.81
    acetyl acetate 106.77
    di(2-ethylhexyl) phthalate 24.54
    ethyl propionate 49.81
    nitromethane 379.95
    1,2-diethoxyethane 59.62
    benzonitrile 86.47
    trioctyl phosphate 14.06
    1-bromopropane 69.95
    gamma-valerolactone 278.8
    n-decanol 8.3
    triethyl phosphate 36.61
    4-methyl-2-pentanol 8.14
    propionitrile 69.61
    vinylene carbonate 142.43
    1,1,2-trichlorotrifluoroethane 255.67
    DMS 77.31
    cumene 13.49
    2-octanol 5.06
    2-hexanone 45.15
    octyl acetate 21.36
    limonene 17.18
    1,2-dimethoxyethane 139.96
    ethyl orthosilicate 30.51
    tributyl phosphate 22.69
    diacetone alcohol 60.99
    N,N-dimethylaniline 35.62
    acrylonitrile 128.33
    aniline 74.4
    1,3-propanediol 38.41
    bromobenzene 128.36
    dibromomethane 289.36
    1,1,2,2-tetrachloroethane 450.0
    2-methyl-cyclohexyl acetate 41.04
    tetrabutyl urea 32.13
    diisobutyl methanol 10.34
    2-phenylethanol 44.3
    styrene 29.77
    dioctyl adipate 36.21
    dimethyl sulfate 178.84
    ethyl butyrate 44.85
    methyl lactate 68.84
    butyl lactate 25.0
    diethyl carbonate 44.35
    propanediol butyl ether 28.23
    triethyl orthoformate 36.83
    p-tert-butyltoluene 12.52
    methyl 4-tert-butylbenzoate 47.98
    morpholine 211.66
    tert-butylamine 10.54
    n-dodecanol 7.21
    dimethoxymethane 185.08
    ethylene carbonate 113.26
    cyrene 71.18
    2-ethoxyethyl acetate 54.98
    2-ethylhexyl acetate 34.32
    1,2,4-trichlorobenzene 129.97
    4-methylpyridine 143.76
    dibutyl ether 18.04
    2,6-dimethyl-4-heptanol 10.34
    DEF 86.73
    dimethyl isosorbide 114.18
    tetrachloroethylene 227.97
    eugenol 47.81
    triacetin 61.5
    span 80 32.7
    1,4-butanediol 16.1
    1,1-dichloroethane 193.31
    2-methyl-1-pentanol 14.62
    methyl formate 137.36
    2-methyl-1-butanol 12.99
    n-decane 1.57
    butyronitrile 50.5
    3,7-dimethyl-1-octanol 12.89
    1-chlorooctane 9.46
    1-chlorotetradecane 5.25
    n-nonane 1.24
    undecane 1.33
    tert-butylcyclohexane 2.04
    cyclooctane 1.3
    cyclopentanol 40.84
    tetrahydropyran 128.45
    tert-amyl methyl ether 17.68
    2,5,8-trioxanonane 121.51
    1-hexene 4.28
    2-isopropoxyethanol 41.91
    2,2,2-trifluoroethanol 57.18
    methyl butyrate 64.5

    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