3-Benzyl-4-heptanone

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  • Identifiers

    CAS number
    7492-37-7

    Molecular formula
    C14H20O

    SMILES
    CCCC(=O)C(CC)CC1=CC=CC=C1

  • Odor profile

    Fragrance
    Fruity 79.48%
    Woody 63.8%
    Herbal 57.76%
    Floral 45.11%
    Berry 40.41%
    Spicy 38.34%
    Mint 35.99%
    Sweet 34.1%
    Balsamic 32.86%
    Jasmin 32.38%

     

    Flavor
    Green 46.12%
    Fruity 45.43%
    Floral 40.09%
    Sweet 38.26%
    Waxy 33.39%
    Herbal 31.63%
    Fresh 27.89%
    Rose 26.67%
    Balsam 25.62%
    Oily 25.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.99 (neutral)

    Molecular weight
    204.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 158.00 to 160.00 °C. @ 10.00 mm Hg

    Flash point

    • 119.73 ˚C est.

    Solubility expt.

    • insoluble in water, soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 3-Benzyl-4-heptanone
    • 3-benzylheptan-4-one
    • 7492-37-7
    • Morellone
    • Benzyl dipropyl ketone
    • 4-Heptanone, 3-(phenylmethyl)-
    • 1-Benzyldipropyl ketone
    • 3-(Phenylmethyl)heptan-4-one
    • 1-Benzyl dipropyl ketone
    • 4-Heptanone, 3-benzyl-
    • 3-(Phenylmethyl)-4-heptanone
    • FEMA No. 2146
    • EINECS 231-317-4
    • 1-Phenyl-2-ethyl-3-hexanone
    • BRN 2262221
    • UNII-64UYT55005
    • 64UYT55005
    • DTXSID50864073
    • 3-BENZYL-4-HEPTANONE [FHFI]
    • 3-BENZYL-4-HEPTANONE [USP-RS]
    • 3-BENZYL-4-HEPTANONE (USP-RS)
    • SCHEMBL1532450
    • FEMA 2146
    • 4-Heptanone, 3-benzyl-(8CI)
    • Benzyl dipropyl ketone (incorr.)
    • DTXCID40812624
    • CGTCWTIGDNJZOX-UHFFFAOYSA-N
    • CHEBI:169647
    • 4-Heptanone, 3-benzyl- (8CI)
    • 3-(Phenylmethyl)-4-heptanone, 9CI
    • AKOS017547716
    • NS00046655
    • Q27263790
    • 231-317-4

  • Applications

    3-Benzyl-4-heptanone (CAS 7492-37-7) is primarily used as a fragrance ingredient and aroma compound in perfumery, offering a distinctive benzyl- and aliphatic ketone scent profile; it can function as a fragrance intermediate and, in some formulations, as a fixative to extend the aroma. It is commonly evaluated for use in cosmetics and personal care products as a fragrance component, and it may be used in household cleaning products to impart or adjust scent. In industrial manufacturing, it can serve as an intermediate in the synthesis of more complex aroma compounds. It may be evaluated for use in coatings and inks as a fragrance additive to impart specific odor characteristics. All use cases are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5186.37
    methanol 5402.64
    isopropanol 4104.08
    water 0.71
    ethyl acetate 6674.33
    n-propanol 4230.63
    acetone 9344.92
    n-butanol 3964.97
    acetonitrile 9715.96
    DMF 6211.11
    toluene 2149.04
    isobutanol 3069.41
    1,4-dioxane 6648.2
    methyl acetate 4635.09
    THF 4949.8
    2-butanone 5868.88
    n-pentanol 2161.25
    sec-butanol 2698.04
    n-hexane 607.3
    ethylene glycol 291.15
    NMP 3142.99
    cyclohexane 925.13
    DMSO 3987.25
    n-butyl acetate 4521.27
    n-octanol 897.5
    chloroform 13067.22
    n-propyl acetate 3404.57
    acetic acid 2697.85
    dichloromethane 12659.13
    cyclohexanone 7696.61
    propylene glycol 487.46
    isopropyl acetate 3307.63
    DMAc 3232.41
    2-ethoxyethanol 2073.83
    isopentanol 2995.91
    n-heptane 250.78
    ethyl formate 3676.25
    1,2-dichloroethane 8846.23
    n-hexanol 2326.81
    2-methoxyethanol 3570.25
    isobutyl acetate 1814.71
    tetrachloromethane 1424.25
    n-pentyl acetate 1834.97
    transcutol 7249.85
    n-heptanol 800.08
    ethylbenzene 1182.99
    MIBK 2178.49
    2-propoxyethanol 2820.13
    tert-butanol 3426.55
    MTBE 4107.86
    2-butoxyethanol 1414.39
    propionic acid 2449.94
    o-xylene 953.06
    formic acid 477.5
    diethyl ether 6484.09
    m-xylene 1103.0
    p-xylene 1347.75
    chlorobenzene 3669.7
    dimethyl carbonate 1113.6
    n-octane 119.99
    formamide 1086.04
    cyclopentanone 5373.91
    2-pentanone 5101.34
    anisole 2205.39
    cyclopentyl methyl ether 2677.38
    gamma-butyrolactone 5214.76
    1-methoxy-2-propanol 2364.58
    pyridine 6683.82
    3-pentanone 3211.02
    furfural 3902.52
    n-dodecane 84.87
    diethylene glycol 1222.36
    diisopropyl ether 1219.17
    tert-amyl alcohol 2290.44
    acetylacetone 3683.03
    n-hexadecane 102.93
    acetophenone 1768.99
    methyl propionate 3273.86
    isopentyl acetate 3190.79
    trichloroethylene 13227.23
    n-nonanol 723.41
    cyclohexanol 2833.11
    benzyl alcohol 1525.62
    2-ethylhexanol 1255.25
    isooctanol 673.09
    dipropyl ether 2058.18
    1,2-dichlorobenzene 2704.92
    ethyl lactate 747.08
    propylene carbonate 2956.35
    n-methylformamide 3025.6
    2-pentanol 2329.79
    n-pentane 398.49
    1-propoxy-2-propanol 2005.69
    1-methoxy-2-propyl acetate 2197.27
    2-(2-methoxypropoxy) propanol 987.73
    mesitylene 630.21
    ε-caprolactone 5056.79
    p-cymene 491.57
    epichlorohydrin 6667.35
    1,1,1-trichloroethane 6230.84
    2-aminoethanol 895.3
    morpholine-4-carbaldehyde 3321.27
    sulfolane 3695.12
    2,2,4-trimethylpentane 146.98
    2-methyltetrahydrofuran 4465.25
    n-hexyl acetate 2270.85
    isooctane 135.33
    2-(2-butoxyethoxy)ethanol 1565.0
    sec-butyl acetate 1807.43
    tert-butyl acetate 2367.81
    decalin 329.2
    glycerin 534.73
    diglyme 3435.03
    acrylic acid 1641.77
    isopropyl myristate 718.25
    n-butyric acid 4778.83
    acetyl acetate 2535.77
    di(2-ethylhexyl) phthalate 487.3
    ethyl propionate 2451.93
    nitromethane 5549.04
    1,2-diethoxyethane 3428.86
    benzonitrile 3065.27
    trioctyl phosphate 384.62
    1-bromopropane 4871.89
    gamma-valerolactone 6029.56
    n-decanol 499.6
    triethyl phosphate 587.05
    4-methyl-2-pentanol 996.39
    propionitrile 5614.36
    vinylene carbonate 2938.81
    1,1,2-trichlorotrifluoroethane 2759.79
    DMS 1469.12
    cumene 621.72
    2-octanol 623.36
    2-hexanone 3219.88
    octyl acetate 906.37
    limonene 810.12
    1,2-dimethoxyethane 5023.42
    ethyl orthosilicate 588.37
    tributyl phosphate 554.53
    diacetone alcohol 1698.47
    N,N-dimethylaniline 1034.57
    acrylonitrile 5366.29
    aniline 2397.96
    1,3-propanediol 1768.49
    bromobenzene 4012.87
    dibromomethane 8427.21
    1,1,2,2-tetrachloroethane 9434.52
    2-methyl-cyclohexyl acetate 1085.7
    tetrabutyl urea 667.97
    diisobutyl methanol 625.87
    2-phenylethanol 1335.09
    styrene 1889.88
    dioctyl adipate 880.76
    dimethyl sulfate 1189.92
    ethyl butyrate 2248.41
    methyl lactate 776.38
    butyl lactate 1074.64
    diethyl carbonate 1310.34
    propanediol butyl ether 1071.81
    triethyl orthoformate 1167.95
    p-tert-butyltoluene 434.75
    methyl 4-tert-butylbenzoate 964.43
    morpholine 6970.82
    tert-butylamine 2251.09
    n-dodecanol 367.46
    dimethoxymethane 3341.9
    ethylene carbonate 2847.33
    cyrene 733.32
    2-ethoxyethyl acetate 2060.42
    2-ethylhexyl acetate 2168.83
    1,2,4-trichlorobenzene 2623.88
    4-methylpyridine 6452.1
    dibutyl ether 1913.74
    2,6-dimethyl-4-heptanol 625.87
    DEF 4648.54
    dimethyl isosorbide 1525.91
    tetrachloroethylene 5626.07
    eugenol 951.48
    triacetin 1394.56
    span 80 898.42
    1,4-butanediol 632.28
    1,1-dichloroethane 9101.16
    2-methyl-1-pentanol 1776.33
    methyl formate 2275.55
    2-methyl-1-butanol 2732.5
    n-decane 162.08
    butyronitrile 6223.6
    3,7-dimethyl-1-octanol 845.59
    1-chlorooctane 805.34
    1-chlorotetradecane 269.11
    n-nonane 168.25
    undecane 111.81
    tert-butylcyclohexane 279.72
    cyclooctane 207.89
    cyclopentanol 2034.61
    tetrahydropyran 7247.41
    tert-amyl methyl ether 2012.08
    2,5,8-trioxanonane 1728.25
    1-hexene 2503.17
    2-isopropoxyethanol 1425.44
    2,2,2-trifluoroethanol 686.3
    methyl butyrate 3992.34

    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