7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone

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  • Identifiers

    CAS number
    107585-73-9

    Molecular formula
    C18H18O6

    SMILES
    COC1=C(C=C(C=C1)CC2COC3=C(C2=O)C(=CC(=C3)O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 49.35%
    Spicy 49.03%
    Vanilla 48.83%
    Phenolic 48.07%
    Odorless 34.2%
    Balsamic 32.9%
    Smoky 30.17%
    Powdery 28.15%
    Creamy 28.03%
    Woody 27.72%

     

    Flavor
    Bitter 86.59%
    Bland 26.04%
    Parsley 21.53%
    Cedarleaf 20.7%
    Lovage 20.65%
    Sweet-like 20.37%
    Odorless 20.33%
    Eugenol 19.76%
    Ethyl benzoate 19.37%
    Ripe apricot 19.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.48 (weak base)

    Molecular weight
    330.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    740°C

    Flash point

    • 209.31 ˚C est.

  • Synonyms

    • 7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone
    • CHEBI:175206
    • DTXSID901121210
    • 107585-73-9
    • 7-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2,3-dihydrochromen-4-one
    • 2,3-Dihydro-7-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-4H-1-benzopyran-4-one
    • 7-Hydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2,3-dihydro-4H-1-benzopyran-4-one
    • 7-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
    • 107585-73-9

  • Applications

    7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone; CAS number 107585-73-9 is a chromanone derivative primarily used as an intermediate in pharmaceutical research and development, serving as a building block for flavonoid-like scaffolds and other biologically active derivatives; in the fragrance industry it is regarded as a potential fragrance precursor for aroma-active compounds; in cosmetics and personal care it can be used as a fragrance-related intermediate or as a stabilizer/antioxidant component in formulations; in coatings and inks it is investigated as a stabilizing or functional additive for specialty coatings and printing systems; in polymers and plastics it may function as a building block for functional polymer architectures, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.46
    methanol 9.5
    isopropanol 5.68
    water 0.0
    ethyl acetate 22.78
    n-propanol 6.28
    acetone 99.0
    n-butanol 5.38
    acetonitrile 32.85
    DMF 119.49
    toluene 4.52
    isobutanol 4.92
    1,4-dioxane 60.07
    methyl acetate 29.77
    THF 268.55
    2-butanone 50.68
    n-pentanol 6.0
    sec-butanol 4.66
    n-hexane 0.1
    ethylene glycol 5.34
    NMP 67.84
    cyclohexane 0.27
    DMSO 691.93
    n-butyl acetate 10.51
    n-octanol 5.41
    chloroform 25.96
    n-propyl acetate 14.73
    acetic acid 28.76
    dichloromethane 33.5
    cyclohexanone 60.95
    propylene glycol 4.92
    isopropyl acetate 12.37
    DMAc 148.31
    2-ethoxyethanol 33.32
    isopentanol 6.32
    n-heptane 0.25
    ethyl formate 21.52
    1,2-dichloroethane 31.63
    n-hexanol 5.41
    2-methoxyethanol 60.42
    isobutyl acetate 8.62
    tetrachloromethane 2.05
    n-pentyl acetate 7.8
    transcutol 50.69
    n-heptanol 4.51
    ethylbenzene 2.4
    MIBK 14.87
    2-propoxyethanol 35.46
    tert-butanol 11.25
    MTBE 5.71
    2-butoxyethanol 17.38
    propionic acid 11.02
    o-xylene 3.09
    formic acid 14.22
    diethyl ether 6.87
    m-xylene 2.97
    p-xylene 3.65
    chlorobenzene 8.86
    dimethyl carbonate 23.1
    n-octane 0.17
    formamide 34.88
    cyclopentanone 121.22
    2-pentanone 31.19
    anisole 10.97
    cyclopentyl methyl ether 19.12
    gamma-butyrolactone 110.51
    1-methoxy-2-propanol 35.9
    pyridine 33.38
    3-pentanone 21.92
    furfural 68.45
    n-dodecane 0.29
    diethylene glycol 40.7
    diisopropyl ether 1.78
    tert-amyl alcohol 6.42
    acetylacetone 60.73
    n-hexadecane 0.36
    acetophenone 17.3
    methyl propionate 23.65
    isopentyl acetate 10.74
    trichloroethylene 56.31
    n-nonanol 5.85
    cyclohexanol 7.06
    benzyl alcohol 12.94
    2-ethylhexanol 4.63
    isooctanol 4.27
    dipropyl ether 5.65
    1,2-dichlorobenzene 8.87
    ethyl lactate 12.65
    propylene carbonate 28.84
    n-methylformamide 39.64
    2-pentanol 3.13
    n-pentane 0.09
    1-propoxy-2-propanol 19.59
    1-methoxy-2-propyl acetate 21.29
    2-(2-methoxypropoxy) propanol 23.36
    mesitylene 1.8
    ε-caprolactone 34.76
    p-cymene 2.73
    epichlorohydrin 139.09
    1,1,1-trichloroethane 13.95
    2-aminoethanol 6.71
    morpholine-4-carbaldehyde 69.3
    sulfolane 166.1
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 36.42
    n-hexyl acetate 10.93
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 27.06
    sec-butyl acetate 7.75
    tert-butyl acetate 14.76
    decalin 0.3
    glycerin 17.14
    diglyme 57.52
    acrylic acid 14.86
    isopropyl myristate 5.78
    n-butyric acid 14.37
    acetyl acetate 19.43
    di(2-ethylhexyl) phthalate 8.39
    ethyl propionate 13.32
    nitromethane 134.49
    1,2-diethoxyethane 15.46
    benzonitrile 17.96
    trioctyl phosphate 5.75
    1-bromopropane 6.31
    gamma-valerolactone 118.41
    n-decanol 4.47
    triethyl phosphate 9.14
    4-methyl-2-pentanol 3.01
    propionitrile 19.3
    vinylene carbonate 26.35
    1,1,2-trichlorotrifluoroethane 61.18
    DMS 15.42
    cumene 1.85
    2-octanol 2.88
    2-hexanone 19.12
    octyl acetate 7.48
    limonene 3.42
    1,2-dimethoxyethane 71.34
    ethyl orthosilicate 7.53
    tributyl phosphate 7.14
    diacetone alcohol 26.32
    N,N-dimethylaniline 7.55
    acrylonitrile 33.04
    aniline 9.93
    1,3-propanediol 14.48
    bromobenzene 7.59
    dibromomethane 15.04
    1,1,2,2-tetrachloroethane 40.02
    2-methyl-cyclohexyl acetate 11.65
    tetrabutyl urea 11.9
    diisobutyl methanol 3.26
    2-phenylethanol 13.16
    styrene 2.99
    dioctyl adipate 11.23
    dimethyl sulfate 49.67
    ethyl butyrate 11.14
    methyl lactate 19.23
    butyl lactate 9.57
    diethyl carbonate 9.09
    propanediol butyl ether 13.84
    triethyl orthoformate 9.29
    p-tert-butyltoluene 2.46
    methyl 4-tert-butylbenzoate 16.53
    morpholine 57.64
    tert-butylamine 2.96
    n-dodecanol 3.41
    dimethoxymethane 81.7
    ethylene carbonate 23.42
    cyrene 30.67
    2-ethoxyethyl acetate 17.01
    2-ethylhexyl acetate 8.03
    1,2,4-trichlorobenzene 11.88
    4-methylpyridine 26.26
    dibutyl ether 5.71
    2,6-dimethyl-4-heptanol 3.26
    DEF 29.46
    dimethyl isosorbide 42.28
    tetrachloroethylene 21.47
    eugenol 17.99
    triacetin 17.94
    span 80 14.55
    1,4-butanediol 6.81
    1,1-dichloroethane 14.98
    2-methyl-1-pentanol 5.74
    methyl formate 46.56
    2-methyl-1-butanol 5.0
    n-decane 0.47
    butyronitrile 14.37
    3,7-dimethyl-1-octanol 5.59
    1-chlorooctane 2.74
    1-chlorotetradecane 1.27
    n-nonane 0.35
    undecane 0.36
    tert-butylcyclohexane 0.25
    cyclooctane 0.14
    cyclopentanol 11.9
    tetrahydropyran 25.7
    tert-amyl methyl ether 5.01
    2,5,8-trioxanonane 44.8
    1-hexene 0.73
    2-isopropoxyethanol 19.88
    2,2,2-trifluoroethanol 15.98
    methyl butyrate 19.55

    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