7-(4-Hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    100667-53-6

    Molecular formula
    C20H24O3

    SMILES
    COC(CCC1=CC=C(C=C1)O)CC(=O)CCC2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Floral 61.03%
    Sweet 57.47%
    Balsamic 41.43%
    Fruity 39.33%
    Spicy 34.53%
    Rose 31.59%
    Honey 30.15%
    Grape 25.76%
    Powdery 25.36%
    Fresh 24.62%

     

    Flavor
    Floral 49.99%
    Sweet 43.08%
    Green 34.82%
    Fruity 33.26%
    Mild 32.15%
    Herbal 29.08%
    Balsam 27.61%
    Spicy 26.98%
    Woody 25.2%
    Fresh 23.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.29 (weak base)

    Molecular weight
    312.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    481°C

    Melting point expt.

    • 68 - 70 °C

    Flash point

    • 194.28 ˚C est.

  • Synonyms

    • 100667-53-6
    • 7-(4-hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one
    • 5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone
    • 3-Heptanone, 7-(4-hydroxyphenyl)-5-methoxy-1-phenyl-
    • 7-(4-Hydroxyphenyl)-5-methoxy-1-phenyl-3-heptanone
    • orb1680372
    • CHEBI:175000
    • DTXSID701227642
    • AKOS040763417
    • F92727
    • 5-methoxy-7-(4-hydroxyphenyl)-1-phenyl-heptan-3-one
    • 7-(4-hydroxyphenyl)-5-methoxy-1-phenyl-heptan-3-one
    • 100667-53-6

  • Applications

    For 7-(4-Hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one (CAS 100667-53-6), the compound is typically used as an aroma-related intermediate and fragrance ingredient in industrial applications; in perfumery and cosmetics it serves as a fragrance component or a synthetic building block for related aroma molecules; in household cleaning products and air fresheners it can contribute a nuanced scent; in industrial manufacturing it functions as an intermediate for synthesizing other aryl ketones and scent-related compounds; and in coatings, inks, and polymer formulations it may act as an odorant modifier or fragrance additive, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 104.5
    methanol 182.15
    isopropanol 54.46
    water 0.13
    ethyl acetate 99.03
    n-propanol 63.22
    acetone 65.16
    n-butanol 41.68
    acetonitrile 73.51
    DMF 46.35
    toluene 18.51
    isobutanol 27.92
    1,4-dioxane 314.79
    methyl acetate 96.17
    THF 397.12
    2-butanone 87.19
    n-pentanol 41.86
    sec-butanol 34.67
    n-hexane 0.2
    ethylene glycol 24.54
    NMP 15.28
    cyclohexane 0.68
    DMSO 539.08
    n-butyl acetate 30.87
    n-octanol 9.78
    chloroform 236.84
    n-propyl acetate 45.56
    acetic acid 103.59
    dichloromethane 208.28
    cyclohexanone 73.32
    propylene glycol 79.58
    isopropyl acetate 48.38
    DMAc 171.38
    2-ethoxyethanol 212.48
    isopentanol 30.7
    n-heptane 0.55
    ethyl formate 49.91
    1,2-dichloroethane 154.37
    n-hexanol 22.96
    2-methoxyethanol 258.13
    isobutyl acetate 28.94
    tetrachloromethane 8.44
    n-pentyl acetate 16.5
    transcutol 610.46
    n-heptanol 11.06
    ethylbenzene 10.38
    MIBK 38.01
    2-propoxyethanol 122.55
    tert-butanol 59.87
    MTBE 31.68
    2-butoxyethanol 52.33
    propionic acid 56.43
    o-xylene 10.12
    formic acid 42.22
    diethyl ether 31.24
    m-xylene 9.97
    p-xylene 10.67
    chlorobenzene 32.14
    dimethyl carbonate 36.91
    n-octane 0.34
    formamide 89.04
    cyclopentanone 76.99
    2-pentanone 49.35
    anisole 58.97
    cyclopentyl methyl ether 38.05
    gamma-butyrolactone 102.64
    1-methoxy-2-propanol 174.0
    pyridine 114.72
    3-pentanone 38.9
    furfural 106.42
    n-dodecane 0.58
    diethylene glycol 116.24
    diisopropyl ether 5.79
    tert-amyl alcohol 32.81
    acetylacetone 108.37
    n-hexadecane 0.67
    acetophenone 48.47
    methyl propionate 62.39
    isopentyl acetate 32.69
    trichloroethylene 240.01
    n-nonanol 11.37
    cyclohexanol 23.91
    benzyl alcohol 53.53
    2-ethylhexanol 13.13
    isooctanol 10.24
    dipropyl ether 20.34
    1,2-dichlorobenzene 34.28
    ethyl lactate 33.83
    propylene carbonate 50.64
    n-methylformamide 44.94
    2-pentanol 18.14
    n-pentane 0.14
    1-propoxy-2-propanol 71.89
    1-methoxy-2-propyl acetate 76.35
    2-(2-methoxypropoxy) propanol 72.88
    mesitylene 5.83
    ε-caprolactone 64.57
    p-cymene 7.35
    epichlorohydrin 255.51
    1,1,1-trichloroethane 58.27
    2-aminoethanol 67.12
    morpholine-4-carbaldehyde 101.68
    sulfolane 108.03
    2,2,4-trimethylpentane 0.51
    2-methyltetrahydrofuran 73.75
    n-hexyl acetate 23.16
    isooctane 0.42
    2-(2-butoxyethoxy)ethanol 115.47
    sec-butyl acetate 31.39
    tert-butyl acetate 50.14
    decalin 1.08
    glycerin 93.26
    diglyme 251.77
    acrylic acid 48.01
    isopropyl myristate 12.42
    n-butyric acid 72.49
    acetyl acetate 62.82
    di(2-ethylhexyl) phthalate 17.41
    ethyl propionate 40.14
    nitromethane 217.91
    1,2-diethoxyethane 106.59
    benzonitrile 39.8
    trioctyl phosphate 9.06
    1-bromopropane 27.14
    gamma-valerolactone 149.37
    n-decanol 8.74
    triethyl phosphate 22.9
    4-methyl-2-pentanol 12.83
    propionitrile 47.1
    vinylene carbonate 53.09
    1,1,2-trichlorotrifluoroethane 155.46
    DMS 37.04
    cumene 7.4
    2-octanol 5.86
    2-hexanone 41.29
    octyl acetate 14.51
    limonene 8.21
    1,2-dimethoxyethane 256.1
    ethyl orthosilicate 22.55
    tributyl phosphate 13.33
    diacetone alcohol 71.39
    N,N-dimethylaniline 27.8
    acrylonitrile 63.75
    aniline 36.29
    1,3-propanediol 107.99
    bromobenzene 29.82
    dibromomethane 85.21
    1,1,2,2-tetrachloroethane 208.73
    2-methyl-cyclohexyl acetate 31.72
    tetrabutyl urea 18.92
    diisobutyl methanol 10.01
    2-phenylethanol 36.64
    styrene 14.86
    dioctyl adipate 26.92
    dimethyl sulfate 57.53
    ethyl butyrate 33.44
    methyl lactate 48.1
    butyl lactate 25.36
    diethyl carbonate 29.7
    propanediol butyl ether 46.79
    triethyl orthoformate 32.99
    p-tert-butyltoluene 6.68
    methyl 4-tert-butylbenzoate 42.36
    morpholine 289.01
    tert-butylamine 16.12
    n-dodecanol 6.78
    dimethoxymethane 158.38
    ethylene carbonate 46.92
    cyrene 55.85
    2-ethoxyethyl acetate 52.82
    2-ethylhexyl acetate 21.72
    1,2,4-trichlorobenzene 42.01
    4-methylpyridine 53.69
    dibutyl ether 18.54
    2,6-dimethyl-4-heptanol 10.01
    DEF 42.43
    dimethyl isosorbide 116.89
    tetrachloroethylene 93.39
    eugenol 47.63
    triacetin 52.0
    span 80 41.88
    1,4-butanediol 43.16
    1,1-dichloroethane 78.25
    2-methyl-1-pentanol 31.26
    methyl formate 42.59
    2-methyl-1-butanol 23.51
    n-decane 0.9
    butyronitrile 38.3
    3,7-dimethyl-1-octanol 12.95
    1-chlorooctane 5.57
    1-chlorotetradecane 2.6
    n-nonane 0.65
    undecane 0.7
    tert-butylcyclohexane 0.98
    cyclooctane 0.26
    cyclopentanol 26.22
    tetrahydropyran 119.03
    tert-amyl methyl ether 19.68
    2,5,8-trioxanonane 170.31
    1-hexene 2.29
    2-isopropoxyethanol 103.09
    2,2,2-trifluoroethanol 30.06
    methyl butyrate 49.52

    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