7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenylheptan-3-one

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  • Identifiers

    CAS number
    83161-95-9

    Molecular formula
    C21H26O4

    SMILES
    COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=CC=C2)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 55.05%
    Spicy 43.89%
    Floral 43.45%
    Vanilla 40.24%
    Balsamic 39.84%
    Fruity 29.12%
    Powdery 28.55%
    Warm 26.4%
    Creamy 24.67%
    Woody 23.02%

     

    Flavor
    Floral 40.62%
    Sweet 36.32%
    Spicy 31.75%
    Woody 31.12%
    Mild 30.08%
    Herbal 29.4%
    Fruity 26.79%
    Bitter 26.08%
    Balsam 22.71%
    Flower 21.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.31 (weak base)

    Molecular weight
    342.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    526°C

    Flash point

    • 186.25 ˚C est.

  • Synonyms

    • 83161-95-9
    • 3-Heptanone, 7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-
    • 7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenylheptan-3-one
    • 7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone
    • 5-methoxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone
    • Tylophorine (8CI)
    • orb1680373
    • SCHEMBL6378341
    • DTXSID00415751
    • IDA16195
    • AKOS040763416
    • 2,3,6,7-Tetramethoxyphenanthro[9,10:6',7']indolizidine
    • 5-methoxy-7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-3-heptanone
    • 7-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-1-phenyl-heptan-3-one
    • 7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone, 9CI
    • 83161-95-9

  • Applications

    7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenylheptan-3-one (CAS 83161-95-9) is commonly used as an intermediate and building block in organic synthesis for fragrance-related compounds. In perfumery, it may serve as a scent component or aroma precursor, and in cosmetics and personal care it may be used as a fragrance ingredient where permitted by regulations. Additionally, due to its aryl ketone framework, it functions as an intermediate in pharmaceutical synthesis and in the development of specialty chemicals for industrial manufacturing, such as resins and coatings. Applications in flavor contexts may be evaluated where permitted by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 76.13
    methanol 106.57
    isopropanol 45.89
    water 0.06
    ethyl acetate 87.2
    n-propanol 56.87
    acetone 158.97
    n-butanol 33.41
    acetonitrile 62.59
    DMF 75.41
    toluene 21.33
    isobutanol 26.24
    1,4-dioxane 252.63
    methyl acetate 87.22
    THF 550.73
    2-butanone 103.47
    n-pentanol 31.1
    sec-butanol 33.21
    n-hexane 0.27
    ethylene glycol 17.87
    NMP 28.41
    cyclohexane 1.29
    DMSO 985.39
    n-butyl acetate 20.88
    n-octanol 9.23
    chloroform 271.62
    n-propyl acetate 36.22
    acetic acid 123.29
    dichloromethane 311.59
    cyclohexanone 106.87
    propylene glycol 49.27
    isopropyl acetate 37.18
    DMAc 183.73
    2-ethoxyethanol 146.71
    isopentanol 23.15
    n-heptane 0.54
    ethyl formate 46.06
    1,2-dichloroethane 205.59
    n-hexanol 17.06
    2-methoxyethanol 200.35
    isobutyl acetate 20.89
    tetrachloromethane 10.37
    n-pentyl acetate 16.17
    transcutol 296.31
    n-heptanol 10.46
    ethylbenzene 9.46
    MIBK 33.36
    2-propoxyethanol 81.09
    tert-butanol 59.0
    MTBE 27.69
    2-butoxyethanol 42.79
    propionic acid 53.06
    o-xylene 10.34
    formic acid 41.81
    diethyl ether 27.99
    m-xylene 8.87
    p-xylene 10.46
    chlorobenzene 34.5
    dimethyl carbonate 35.15
    n-octane 0.45
    formamide 95.18
    cyclopentanone 155.75
    2-pentanone 57.57
    anisole 40.5
    cyclopentyl methyl ether 44.53
    gamma-butyrolactone 149.11
    1-methoxy-2-propanol 123.37
    pyridine 106.94
    3-pentanone 41.46
    furfural 111.68
    n-dodecane 0.6
    diethylene glycol 78.32
    diisopropyl ether 4.57
    tert-amyl alcohol 33.18
    acetylacetone 120.6
    n-hexadecane 0.69
    acetophenone 44.2
    methyl propionate 56.55
    isopentyl acetate 23.43
    trichloroethylene 285.95
    n-nonanol 10.36
    cyclohexanol 30.49
    benzyl alcohol 42.83
    2-ethylhexanol 10.19
    isooctanol 10.2
    dipropyl ether 13.23
    1,2-dichlorobenzene 33.34
    ethyl lactate 26.49
    propylene carbonate 51.94
    n-methylformamide 55.27
    2-pentanol 14.79
    n-pentane 0.19
    1-propoxy-2-propanol 43.81
    1-methoxy-2-propyl acetate 51.19
    2-(2-methoxypropoxy) propanol 48.08
    mesitylene 4.72
    ε-caprolactone 68.67
    p-cymene 5.93
    epichlorohydrin 308.96
    1,1,1-trichloroethane 71.76
    2-aminoethanol 45.81
    morpholine-4-carbaldehyde 94.91
    sulfolane 169.63
    2,2,4-trimethylpentane 0.54
    2-methyltetrahydrofuran 90.44
    n-hexyl acetate 20.68
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 69.44
    sec-butyl acetate 21.27
    tert-butyl acetate 40.5
    decalin 1.12
    glycerin 65.47
    diglyme 169.13
    acrylic acid 48.04
    isopropyl myristate 10.11
    n-butyric acid 62.2
    acetyl acetate 59.9
    di(2-ethylhexyl) phthalate 14.16
    ethyl propionate 29.61
    nitromethane 285.6
    1,2-diethoxyethane 58.26
    benzonitrile 35.84
    trioctyl phosphate 8.51
    1-bromopropane 36.67
    gamma-valerolactone 181.22
    n-decanol 7.9
    triethyl phosphate 18.27
    4-methyl-2-pentanol 9.59
    propionitrile 41.57
    vinylene carbonate 52.33
    1,1,2-trichlorotrifluoroethane 143.92
    DMS 32.07
    cumene 6.05
    2-octanol 5.85
    2-hexanone 36.66
    octyl acetate 12.53
    limonene 7.72
    1,2-dimethoxyethane 181.12
    ethyl orthosilicate 17.43
    tributyl phosphate 11.58
    diacetone alcohol 61.41
    N,N-dimethylaniline 20.8
    acrylonitrile 61.14
    aniline 36.7
    1,3-propanediol 77.33
    bromobenzene 31.29
    dibromomethane 133.94
    1,1,2,2-tetrachloroethane 224.48
    2-methyl-cyclohexyl acetate 24.67
    tetrabutyl urea 17.14
    diisobutyl methanol 7.46
    2-phenylethanol 29.3
    styrene 13.45
    dioctyl adipate 22.38
    dimethyl sulfate 65.65
    ethyl butyrate 23.08
    methyl lactate 38.63
    butyl lactate 20.28
    diethyl carbonate 20.58
    propanediol butyl ether 33.72
    triethyl orthoformate 21.49
    p-tert-butyltoluene 5.35
    methyl 4-tert-butylbenzoate 36.12
    morpholine 252.31
    tert-butylamine 14.35
    n-dodecanol 6.0
    dimethoxymethane 145.49
    ethylene carbonate 45.48
    cyrene 51.63
    2-ethoxyethyl acetate 43.26
    2-ethylhexyl acetate 15.86
    1,2,4-trichlorobenzene 40.94
    4-methylpyridine 56.36
    dibutyl ether 13.57
    2,6-dimethyl-4-heptanol 7.46
    DEF 43.4
    dimethyl isosorbide 83.36
    tetrachloroethylene 105.66
    eugenol 37.52
    triacetin 41.58
    span 80 30.85
    1,4-butanediol 34.33
    1,1-dichloroethane 103.67
    2-methyl-1-pentanol 23.1
    methyl formate 54.14
    2-methyl-1-butanol 21.24
    n-decane 1.01
    butyronitrile 35.12
    3,7-dimethyl-1-octanol 11.12
    1-chlorooctane 5.73
    1-chlorotetradecane 2.52
    n-nonane 0.77
    undecane 0.74
    tert-butylcyclohexane 0.87
    cyclooctane 0.37
    cyclopentanol 37.65
    tetrahydropyran 147.81
    tert-amyl methyl ether 18.37
    2,5,8-trioxanonane 114.31
    1-hexene 2.62
    2-isopropoxyethanol 70.93
    2,2,2-trifluoroethanol 39.42
    methyl butyrate 40.49

    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