5-Methoxy-1,7-diphenyl-3-heptanone

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  • Identifiers

    CAS number
    100667-54-7

    Molecular formula
    C20H24O2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 66.9%
    Sweet 59.87%
    Fruity 53.61%
    Balsamic 49.55%
    Rose 44.27%
    Honey 38.47%
    Spicy 36.08%
    Green 28.62%
    Herbal 28.43%
    Powdery 27.51%

     

    Flavor
    Green 60.7%
    Floral 57.54%
    Sweet 44.92%
    Rose 36.92%
    Waxy 34.02%
    Balsam 32.47%
    Fruity 31.57%
    Honey 31.14%
    Fresh 30.67%
    Hyacinth 28.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.32 (neutral)

    Molecular weight
    296.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    420°C

    Flash point

    • 179.02 ˚C est.

  • Synonyms

    • 5-Methoxy-1,7-diphenyl-3-heptanone
    • 5-methoxy-1,7-diphenylheptan-3-one
    • 100667-54-7
    • CHEMBL240485
    • orb1984143
    • SCHEMBL27687807
    • CHEBI:174142
    • DTXSID701296265
    • AKOS040763698
    • 100667-54-7

  • Applications

    5-Methoxy-1,7-diphenyl-3-heptanone (CAS 100667-54-7) is commonly evaluated for use in fragrance and cosmetics as a fragrance odorant and potential fixative, helping to impart and stabilize musk- or floral-like notes in perfumery and personal care formulations. It may also be employed in household products such as air fresheners and scented cleaners as part of fragrance systems. In coatings and inks, it can function as an odorant additive or aroma-release component within scent-enabled products. The compound can serve as an intermediate or specialty building block in organic synthesis for fragrance-related chemicals, and may be encountered in plastics and polymer applications where it is used as a fragrance carrier or processing aid under appropriate formulation controls. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 63.69
    methanol 79.05
    isopropanol 32.14
    water 0.11
    ethyl acetate 248.71
    n-propanol 56.3
    acetone 178.4
    n-butanol 44.09
    acetonitrile 143.19
    DMF 151.55
    toluene 106.11
    isobutanol 32.47
    1,4-dioxane 509.06
    methyl acetate 205.95
    THF 555.37
    2-butanone 197.66
    n-pentanol 45.24
    sec-butanol 33.51
    n-hexane 2.93
    ethylene glycol 16.15
    NMP 96.18
    cyclohexane 10.65
    DMSO 503.8
    n-butyl acetate 109.54
    n-octanol 12.89
    chloroform 1280.81
    n-propyl acetate 135.22
    acetic acid 111.82
    dichloromethane 1387.14
    cyclohexanone 247.35
    propylene glycol 35.72
    isopropyl acetate 113.38
    DMAc 353.44
    2-ethoxyethanol 157.03
    isopentanol 36.85
    n-heptane 4.0
    ethyl formate 109.0
    1,2-dichloroethane 884.04
    n-hexanol 36.48
    2-methoxyethanol 168.59
    isobutyl acetate 82.11
    tetrachloromethane 58.84
    n-pentyl acetate 45.47
    transcutol 721.48
    n-heptanol 16.0
    ethylbenzene 51.99
    MIBK 82.48
    2-propoxyethanol 122.75
    tert-butanol 45.43
    MTBE 63.9
    2-butoxyethanol 63.1
    propionic acid 87.05
    o-xylene 52.34
    formic acid 33.16
    diethyl ether 126.19
    m-xylene 47.99
    p-xylene 56.57
    chlorobenzene 191.28
    dimethyl carbonate 90.96
    n-octane 1.71
    formamide 74.51
    cyclopentanone 280.42
    2-pentanone 125.29
    anisole 152.48
    cyclopentyl methyl ether 125.1
    gamma-butyrolactone 333.23
    1-methoxy-2-propanol 119.61
    pyridine 357.88
    3-pentanone 137.82
    furfural 314.74
    n-dodecane 1.8
    diethylene glycol 98.16
    diisopropyl ether 24.0
    tert-amyl alcohol 35.65
    acetylacetone 251.28
    n-hexadecane 2.16
    acetophenone 139.95
    methyl propionate 164.85
    isopentyl acetate 98.56
    trichloroethylene 1209.08
    n-nonanol 15.58
    cyclohexanol 53.07
    benzyl alcohol 95.27
    2-ethylhexanol 30.11
    isooctanol 16.56
    dipropyl ether 75.95
    1,2-dichlorobenzene 190.61
    ethyl lactate 59.11
    propylene carbonate 178.17
    n-methylformamide 81.96
    2-pentanol 22.63
    n-pentane 1.77
    1-propoxy-2-propanol 87.61
    1-methoxy-2-propyl acetate 153.99
    2-(2-methoxypropoxy) propanol 102.87
    mesitylene 28.39
    ε-caprolactone 191.76
    p-cymene 27.64
    epichlorohydrin 669.33
    1,1,1-trichloroethane 369.61
    2-aminoethanol 40.63
    morpholine-4-carbaldehyde 228.02
    sulfolane 329.43
    2,2,4-trimethylpentane 3.24
    2-methyltetrahydrofuran 200.21
    n-hexyl acetate 55.24
    isooctane 2.03
    2-(2-butoxyethoxy)ethanol 132.27
    sec-butyl acetate 88.32
    tert-butyl acetate 104.75
    decalin 8.83
    glycerin 57.07
    diglyme 353.01
    acrylic acid 82.53
    isopropyl myristate 28.97
    n-butyric acid 113.63
    acetyl acetate 170.78
    di(2-ethylhexyl) phthalate 36.35
    ethyl propionate 124.27
    nitromethane 339.02
    1,2-diethoxyethane 202.16
    benzonitrile 118.52
    trioctyl phosphate 18.31
    1-bromopropane 216.42
    gamma-valerolactone 360.52
    n-decanol 12.28
    triethyl phosphate 65.65
    4-methyl-2-pentanol 19.26
    propionitrile 105.77
    vinylene carbonate 182.96
    1,1,2-trichlorotrifluoroethane 322.88
    DMS 104.06
    cumene 32.07
    2-octanol 9.05
    2-hexanone 105.92
    octyl acetate 33.12
    limonene 35.72
    1,2-dimethoxyethane 314.76
    ethyl orthosilicate 59.78
    tributyl phosphate 29.32
    diacetone alcohol 95.36
    N,N-dimethylaniline 81.64
    acrylonitrile 138.63
    aniline 109.46
    1,3-propanediol 60.23
    bromobenzene 219.79
    dibromomethane 696.92
    1,1,2,2-tetrachloroethane 975.04
    2-methyl-cyclohexyl acetate 85.53
    tetrabutyl urea 38.87
    diisobutyl methanol 23.56
    2-phenylethanol 72.25
    styrene 78.37
    dioctyl adipate 60.64
    dimethyl sulfate 144.91
    ethyl butyrate 116.56
    methyl lactate 70.73
    butyl lactate 47.76
    diethyl carbonate 94.57
    propanediol butyl ether 46.64
    triethyl orthoformate 91.21
    p-tert-butyltoluene 24.63
    methyl 4-tert-butylbenzoate 92.71
    morpholine 411.07
    tert-butylamine 23.22
    n-dodecanol 10.11
    dimethoxymethane 220.77
    ethylene carbonate 160.08
    cyrene 94.77
    2-ethoxyethyl acetate 117.23
    2-ethylhexyl acetate 76.18
    1,2,4-trichlorobenzene 219.31
    4-methylpyridine 210.49
    dibutyl ether 47.14
    2,6-dimethyl-4-heptanol 23.56
    DEF 147.71
    dimethyl isosorbide 200.32
    tetrachloroethylene 491.49
    eugenol 83.69
    triacetin 113.55
    span 80 62.88
    1,4-butanediol 30.38
    1,1-dichloroethane 447.66
    2-methyl-1-pentanol 42.76
    methyl formate 85.44
    2-methyl-1-butanol 33.68
    n-decane 3.1
    butyronitrile 86.94
    3,7-dimethyl-1-octanol 22.17
    1-chlorooctane 16.82
    1-chlorotetradecane 7.48
    n-nonane 2.59
    undecane 2.23
    tert-butylcyclohexane 6.6
    cyclooctane 3.15
    cyclopentanol 49.87
    tetrahydropyran 309.43
    tert-amyl methyl ether 49.78
    2,5,8-trioxanonane 229.26
    1-hexene 21.77
    2-isopropoxyethanol 96.69
    2,2,2-trifluoroethanol 54.94
    methyl butyrate 147.95

    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