7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    100667-52-5

    Molecular formula
    C19H20O2

    SMILES
    C1=CC=C(C=C1)CCC(=O)/C=C/CCC2=CC=C(C=C2)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 60.02%
    Balsamic 55.07%
    Sweet 54.86%
    Spicy 49.77%
    Fruity 49.62%
    Honey 31.41%
    Cinnamon 30.0%
    Rose 29.88%
    Powdery 27.76%
    Herbal 27.15%

     

    Flavor
    Sweet 46.26%
    Balsam 43.85%
    Floral 42.02%
    Herbal 30.39%
    Honey 28.91%
    Spicy 28.66%
    Fruity 28.33%
    Cinnamon 27.45%
    Fresh 25.36%
    Mild 24.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    9.65 (weak base)

    Molecular weight
    280.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    441°C

    Flash point

    • 206.04 ˚C est.

  • Synonyms

    • 100667-52-5
    • 7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one
    • (4E)-7-(4-HYDROXYPHENYL)-1-PHENYLHEPT-4-EN-3-ONE
    • 4-Hepten-3-one, 7-(4-hydroxyphenyl)-1-phenyl-, (4E)-
    • (E)-7-(4-hydroxyphenyl)-1-phenylhept-4-en-3-one
    • (4E)-7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one
    • orb1683344
    • CHEMBL5282847
    • CHEBI:173996
    • DTXSID101235744
    • AKOS040761237
    • FS-8252
    • HY-134650
    • CS-0146746
    • F92726
    • 1-phenyl-7-(4-hydroxyphenyl)-4-en-3-heptanone
    • 7-(4''-hydroxyphenyl)-1-phenylhept-4-en-3-one
    • (E)-7-(4-hydroxyphenyl)-1-phenyl-hept-4-en-3-one
    • 100667-52-5

  • Applications

    7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one, CAS 100667-52-5, is viewed as a fragrance ingredient and an important synthetic intermediate in the aroma industry; it can be used as an odorant and a fragrance base in perfume formulations and cosmetic fragrance systems. In cosmetics and personal care, it is often used as a fragrance component or base ingredient in creams and perfumes. In consumer products and coatings/inks, it may serve as a fragrance additive to improve or stabilize the product scent. It is also studied as a chemical synthesis intermediate, supporting the development of additional fragrance compounds and other complex organic syntheses. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.82
    methanol 56.64
    isopropanol 19.5
    water 0.04
    ethyl acetate 74.28
    n-propanol 29.76
    acetone 43.48
    n-butanol 20.89
    acetonitrile 37.64
    DMF 43.74
    toluene 14.71
    isobutanol 12.35
    1,4-dioxane 150.95
    methyl acetate 65.46
    THF 258.53
    2-butanone 67.57
    n-pentanol 21.88
    sec-butanol 21.62
    n-hexane 0.48
    ethylene glycol 7.65
    NMP 17.42
    cyclohexane 0.51
    DMSO 267.24
    n-butyl acetate 37.8
    n-octanol 6.66
    chloroform 125.93
    n-propyl acetate 41.88
    acetic acid 39.27
    dichloromethane 106.63
    cyclohexanone 49.57
    propylene glycol 24.08
    isopropyl acetate 41.6
    DMAc 141.78
    2-ethoxyethanol 82.13
    isopentanol 18.14
    n-heptane 0.83
    ethyl formate 25.2
    1,2-dichloroethane 107.18
    n-hexanol 17.5
    2-methoxyethanol 95.23
    isobutyl acetate 27.76
    tetrachloromethane 6.17
    n-pentyl acetate 17.56
    transcutol 543.45
    n-heptanol 9.03
    ethylbenzene 11.92
    MIBK 37.21
    2-propoxyethanol 71.03
    tert-butanol 28.54
    MTBE 37.32
    2-butoxyethanol 36.57
    propionic acid 30.34
    o-xylene 9.46
    formic acid 15.28
    diethyl ether 38.22
    m-xylene 9.14
    p-xylene 11.38
    chlorobenzene 23.03
    dimethyl carbonate 32.7
    n-octane 0.43
    formamide 43.82
    cyclopentanone 67.73
    2-pentanone 43.16
    anisole 57.48
    cyclopentyl methyl ether 30.76
    gamma-butyrolactone 86.52
    1-methoxy-2-propanol 78.2
    pyridine 75.58
    3-pentanone 37.38
    furfural 77.84
    n-dodecane 0.58
    diethylene glycol 57.39
    diisopropyl ether 9.14
    tert-amyl alcohol 25.7
    acetylacetone 98.56
    n-hexadecane 0.68
    acetophenone 45.01
    methyl propionate 51.09
    isopentyl acetate 39.29
    trichloroethylene 188.29
    n-nonanol 7.83
    cyclohexanol 11.53
    benzyl alcohol 33.43
    2-ethylhexanol 13.09
    isooctanol 9.14
    dipropyl ether 26.75
    1,2-dichlorobenzene 28.94
    ethyl lactate 25.27
    propylene carbonate 43.15
    n-methylformamide 29.9
    2-pentanol 13.7
    n-pentane 0.24
    1-propoxy-2-propanol 53.13
    1-methoxy-2-propyl acetate 77.51
    2-(2-methoxypropoxy) propanol 69.67
    mesitylene 6.3
    ε-caprolactone 48.12
    p-cymene 8.38
    epichlorohydrin 183.52
    1,1,1-trichloroethane 46.48
    2-aminoethanol 22.76
    morpholine-4-carbaldehyde 69.14
    sulfolane 97.47
    2,2,4-trimethylpentane 0.97
    2-methyltetrahydrofuran 55.35
    n-hexyl acetate 23.39
    isooctane 0.74
    2-(2-butoxyethoxy)ethanol 95.07
    sec-butyl acetate 33.3
    tert-butyl acetate 55.08
    decalin 1.49
    glycerin 32.8
    diglyme 203.65
    acrylic acid 26.1
    isopropyl myristate 13.78
    n-butyric acid 39.43
    acetyl acetate 46.15
    di(2-ethylhexyl) phthalate 15.26
    ethyl propionate 40.26
    nitromethane 117.07
    1,2-diethoxyethane 114.79
    benzonitrile 27.79
    trioctyl phosphate 8.48
    1-bromopropane 22.7
    gamma-valerolactone 108.54
    n-decanol 6.39
    triethyl phosphate 24.97
    4-methyl-2-pentanol 11.47
    propionitrile 29.13
    vinylene carbonate 39.43
    1,1,2-trichlorotrifluoroethane 98.69
    DMS 38.54
    cumene 9.07
    2-octanol 5.07
    2-hexanone 40.16
    octyl acetate 14.77
    limonene 9.73
    1,2-dimethoxyethane 142.0
    ethyl orthosilicate 25.13
    tributyl phosphate 13.05
    diacetone alcohol 66.09
    N,N-dimethylaniline 30.67
    acrylonitrile 38.27
    aniline 23.41
    1,3-propanediol 33.56
    bromobenzene 22.39
    dibromomethane 48.19
    1,1,2,2-tetrachloroethane 154.41
    2-methyl-cyclohexyl acetate 33.07
    tetrabutyl urea 18.35
    diisobutyl methanol 12.05
    2-phenylethanol 29.48
    styrene 15.3
    dioctyl adipate 27.52
    dimethyl sulfate 56.38
    ethyl butyrate 38.93
    methyl lactate 30.89
    butyl lactate 23.12
    diethyl carbonate 31.52
    propanediol butyl ether 32.35
    triethyl orthoformate 35.73
    p-tert-butyltoluene 8.15
    methyl 4-tert-butylbenzoate 42.51
    morpholine 134.75
    tert-butylamine 11.92
    n-dodecanol 5.27
    dimethoxymethane 105.81
    ethylene carbonate 31.57
    cyrene 45.32
    2-ethoxyethyl acetate 53.32
    2-ethylhexyl acetate 27.4
    1,2,4-trichlorobenzene 38.15
    4-methylpyridine 37.97
    dibutyl ether 20.28
    2,6-dimethyl-4-heptanol 12.05
    DEF 38.93
    dimethyl isosorbide 115.73
    tetrachloroethylene 73.0
    eugenol 43.63
    triacetin 50.69
    span 80 36.7
    1,4-butanediol 14.55
    1,1-dichloroethane 48.73
    2-methyl-1-pentanol 21.87
    methyl formate 24.71
    2-methyl-1-butanol 15.26
    n-decane 0.9
    butyronitrile 22.99
    3,7-dimethyl-1-octanol 11.27
    1-chlorooctane 5.24
    1-chlorotetradecane 2.61
    n-nonane 0.69
    undecane 0.7
    tert-butylcyclohexane 1.7
    cyclooctane 0.27
    cyclopentanol 11.66
    tetrahydropyran 67.03
    tert-amyl methyl ether 28.39
    2,5,8-trioxanonane 147.06
    1-hexene 4.52
    2-isopropoxyethanol 53.08
    2,2,2-trifluoroethanol 13.38
    methyl butyrate 45.69

    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