5-Hydroxy-4-(4'-hydroxy-3'-methoxyphenyl)-7-methylchroman-2-one, (R)-

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  • Identifiers

    CAS number
    1793064-68-2

    Molecular formula
    C17H16O5

    SMILES
    CC1=CC(=C2[C@H](CC(=O)OC2=C1)C3=CC(=C(C=C3)O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 63.99%
    Spicy 50.31%
    Vanilla 49.88%
    Sweet 49.66%
    Smoky 35.98%
    Balsamic 34.26%
    Woody 33.39%
    Creamy 32.4%
    Odorless 31.65%
    Powdery 31.65%

     

    Flavor
    Bitter 87.01%
    Bland 22.45%
    Parsley 21.47%
    Eugenol 21.07%
    Lovage 21.06%
    Cedarleaf 21.02%
    Sweet-like 20.5%
    Allspice 19.87%
    Ripe apricot 19.85%
    Red fruit 19.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.77 (weak base)

    Molecular weight
    300.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    712°C

    Flash point

    • 219.82 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble
    • Very slightly soluble (in ethanol)

  • Synonyms

    • Fema No. 4834
    • 99FU095CJ0
    • UNII-99FU095CJ0
    • (R)-5-Hydroxy-4-(4'-hydroxy-3'-methoxyphenyl)-7-methylchroman-2-one
    • 5-Hydroxy-4-(4'-hydroxy-3'-methoxyphenyl)-7-methylchroman-2-one, (R)-
    • (4R)-4-(4-Hydroxy-3-methoxyphenyl)-5,7-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one
    • 1793064-68-2
    • RefChem:198921
    • SCHEMBL17926353
    • SCHEMBL31053857
    • 1793064-68-2

  • Applications

    5-Hydroxy-4-(4'-hydroxy-3'-methoxyphenyl)-7-methylchroman-2-one, (R)-, CAS 1793064-68-2 is primarily used as a chiral building block in organic synthesis, enabling the construction of flavonoid- and chromanone-based pharmaceutical scaffolds. It is also evaluated as a cosmetic/personal-care intermediate with potential antioxidant activity and as a reactive precursor in fragrance chemistry. In coatings and inks, and in polymer formulations, it may function as a UV stabilizer or antioxidant additive to improve light and oxidative stability. The compound is typically handled as a specialty intermediate with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.05
    methanol 38.01
    isopropanol 24.75
    water 0.03
    ethyl acetate 34.29
    n-propanol 17.13
    acetone 214.18
    n-butanol 15.37
    acetonitrile 45.85
    DMF 294.5
    toluene 4.8
    isobutanol 13.39
    1,4-dioxane 141.94
    methyl acetate 46.85
    THF 429.54
    2-butanone 67.17
    n-pentanol 17.18
    sec-butanol 12.28
    n-hexane 0.1
    ethylene glycol 17.0
    NMP 76.11
    cyclohexane 0.16
    DMSO 722.83
    n-butyl acetate 24.1
    n-octanol 13.82
    chloroform 16.54
    n-propyl acetate 32.36
    acetic acid 58.66
    dichloromethane 17.78
    cyclohexanone 75.22
    propylene glycol 21.2
    isopropyl acetate 24.79
    DMAc 198.29
    2-ethoxyethanol 93.34
    isopentanol 17.61
    n-heptane 0.29
    ethyl formate 29.32
    1,2-dichloroethane 21.84
    n-hexanol 14.09
    2-methoxyethanol 180.3
    isobutyl acetate 20.83
    tetrachloromethane 1.16
    n-pentyl acetate 20.1
    transcutol 171.67
    n-heptanol 12.98
    ethylbenzene 3.21
    MIBK 32.11
    2-propoxyethanol 97.81
    tert-butanol 59.09
    MTBE 15.38
    2-butoxyethanol 42.64
    propionic acid 21.74
    o-xylene 3.66
    formic acid 36.78
    diethyl ether 12.74
    m-xylene 4.52
    p-xylene 5.11
    chlorobenzene 9.01
    dimethyl carbonate 46.6
    n-octane 0.33
    formamide 93.97
    cyclopentanone 155.5
    2-pentanone 53.09
    anisole 20.72
    cyclopentyl methyl ether 32.53
    gamma-butyrolactone 141.9
    1-methoxy-2-propanol 136.22
    pyridine 39.12
    3-pentanone 28.15
    furfural 81.9
    n-dodecane 0.72
    diethylene glycol 126.09
    diisopropyl ether 3.9
    tert-amyl alcohol 20.95
    acetylacetone 110.67
    n-hexadecane 0.84
    acetophenone 27.45
    methyl propionate 37.73
    isopentyl acetate 23.91
    trichloroethylene 43.73
    n-nonanol 14.54
    cyclohexanol 13.85
    benzyl alcohol 25.27
    2-ethylhexanol 9.97
    isooctanol 11.97
    dipropyl ether 12.48
    1,2-dichlorobenzene 9.31
    ethyl lactate 29.93
    propylene carbonate 42.69
    n-methylformamide 102.24
    2-pentanol 9.7
    n-pentane 0.07
    1-propoxy-2-propanol 58.36
    1-methoxy-2-propyl acetate 50.59
    2-(2-methoxypropoxy) propanol 54.01
    mesitylene 3.17
    ε-caprolactone 45.47
    p-cymene 4.74
    epichlorohydrin 161.33
    1,1,1-trichloroethane 12.85
    2-aminoethanol 24.45
    morpholine-4-carbaldehyde 136.96
    sulfolane 183.65
    2,2,4-trimethylpentane 0.2
    2-methyltetrahydrofuran 53.59
    n-hexyl acetate 25.7
    isooctane 0.24
    2-(2-butoxyethoxy)ethanol 72.72
    sec-butyl acetate 16.97
    tert-butyl acetate 36.95
    decalin 0.38
    glycerin 60.52
    diglyme 132.15
    acrylic acid 26.85
    isopropyl myristate 13.92
    n-butyric acid 31.27
    acetyl acetate 29.94
    di(2-ethylhexyl) phthalate 17.05
    ethyl propionate 24.25
    nitromethane 230.85
    1,2-diethoxyethane 50.21
    benzonitrile 25.92
    trioctyl phosphate 12.93
    1-bromopropane 4.7
    gamma-valerolactone 177.4
    n-decanol 11.95
    triethyl phosphate 16.1
    4-methyl-2-pentanol 9.31
    propionitrile 31.63
    vinylene carbonate 39.07
    1,1,2-trichlorotrifluoroethane 76.61
    DMS 33.36
    cumene 2.96
    2-octanol 9.56
    2-hexanone 38.46
    octyl acetate 17.73
    limonene 5.65
    1,2-dimethoxyethane 165.32
    ethyl orthosilicate 14.22
    tributyl phosphate 15.17
    diacetone alcohol 73.97
    N,N-dimethylaniline 14.18
    acrylonitrile 54.0
    aniline 14.77
    1,3-propanediol 52.25
    bromobenzene 6.75
    dibromomethane 7.3
    1,1,2,2-tetrachloroethane 34.16
    2-methyl-cyclohexyl acetate 20.43
    tetrabutyl urea 24.82
    diisobutyl methanol 8.86
    2-phenylethanol 26.26
    styrene 3.81
    dioctyl adipate 22.92
    dimethyl sulfate 78.98
    ethyl butyrate 20.45
    methyl lactate 48.01
    butyl lactate 24.05
    diethyl carbonate 16.34
    propanediol butyl ether 42.13
    triethyl orthoformate 19.15
    p-tert-butyltoluene 4.77
    methyl 4-tert-butylbenzoate 33.77
    morpholine 126.01
    tert-butylamine 11.3
    n-dodecanol 9.54
    dimethoxymethane 211.95
    ethylene carbonate 35.41
    cyrene 54.91
    2-ethoxyethyl acetate 41.06
    2-ethylhexyl acetate 16.83
    1,2,4-trichlorobenzene 13.13
    4-methylpyridine 34.86
    dibutyl ether 14.89
    2,6-dimethyl-4-heptanol 8.86
    DEF 45.29
    dimethyl isosorbide 87.26
    tetrachloroethylene 15.52
    eugenol 37.69
    triacetin 38.61
    span 80 33.82
    1,4-butanediol 23.49
    1,1-dichloroethane 14.42
    2-methyl-1-pentanol 14.01
    methyl formate 104.13
    2-methyl-1-butanol 11.39
    n-decane 1.03
    butyronitrile 23.8
    3,7-dimethyl-1-octanol 14.02
    1-chlorooctane 5.49
    1-chlorotetradecane 3.06
    n-nonane 0.74
    undecane 0.86
    tert-butylcyclohexane 0.4
    cyclooctane 0.11
    cyclopentanol 23.36
    tetrahydropyran 40.19
    tert-amyl methyl ether 10.97
    2,5,8-trioxanonane 103.68
    1-hexene 0.95
    2-isopropoxyethanol 57.29
    2,2,2-trifluoroethanol 27.89
    methyl butyrate 34.15

    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