4-Heptadecanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    53685-77-1

    Molecular formula
    C17H34O

    SMILES
    CCCCCCCCCCCCCC(=O)CCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 69.07%
    Waxy 61.6%
    Oily 53.48%
    Fruity 52.48%
    Dairy 39.45%
    Creamy 35.63%
    Floral 33.8%
    Milky 32.84%
    Coconut 31.77%
    Orris 28.98%

     

    Flavor
    Waxy 59.72%
    Fatty 55.65%
    Oily 42.03%
    Fat 40.54%
    Coconut 39.54%
    Soapy 38.47%
    Fruity 37.99%
    Floral 35.71%
    Fresh 34.42%
    Creamy 34.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.1

    pKa est.
    7.61 (neutral)

    Molecular weight
    254.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 135.1 ˚C est.

  • Synonyms

    • 4-Heptadecanone
    • Heptadecan-4-one
    • 53685-77-1
    • NSC-158510
    • EINECS 258-705-6
    • NSC158510
    • T7X56JDK2Q
    • SCHEMBL116978
    • SCHEMBL116979
    • SCHEMBL2284939
    • DTXSID10201940
    • NSC 158510
    • NS00058852
    • 53685-77-1

  • Applications

    4-Heptadecanone (CAS 53685-77-1) is commonly used as a fragrance ingredient and fixative in perfumery and fragrance systems; as a scent component in cosmetics and personal care; applied in household and cleaning products to impart odor; serves as an intermediate in industrial manufacturing for the synthesis of specialty chemicals; used as a precursor or additive in polymer, coatings, and ink formulations, depending on formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1246.45
    methanol 726.87
    isopropanol 1919.89
    water 0.02
    ethyl acetate 4743.17
    n-propanol 1706.16
    acetone 4111.56
    n-butanol 2087.65
    acetonitrile 1509.49
    DMF 2820.98
    toluene 1608.78
    isobutanol 1766.2
    1,4-dioxane 3864.51
    methyl acetate 2518.43
    THF 6986.39
    2-butanone 4149.21
    n-pentanol 1282.32
    sec-butanol 2031.3
    n-hexane 1753.16
    ethylene glycol 37.39
    NMP 3378.78
    cyclohexane 4054.83
    DMSO 2524.85
    n-butyl acetate 5165.07
    n-octanol 1058.76
    chloroform 6720.73
    n-propyl acetate 4505.22
    acetic acid 851.85
    dichloromethane 6484.22
    cyclohexanone 8632.2
    propylene glycol 152.05
    isopropyl acetate 4102.16
    DMAc 2738.62
    2-ethoxyethanol 1398.21
    isopentanol 2323.37
    n-heptane 1387.95
    ethyl formate 1731.52
    1,2-dichloroethane 5104.39
    n-hexanol 1532.19
    2-methoxyethanol 1803.21
    isobutyl acetate 2706.95
    tetrachloromethane 1793.23
    n-pentyl acetate 4117.32
    transcutol 6067.26
    n-heptanol 973.4
    ethylbenzene 1201.0
    MIBK 3288.83
    2-propoxyethanol 1932.43
    tert-butanol 2772.0
    MTBE 4656.34
    2-butoxyethanol 1664.26
    propionic acid 1219.49
    o-xylene 1198.04
    formic acid 79.85
    diethyl ether 5060.96
    m-xylene 1189.12
    p-xylene 1719.92
    chlorobenzene 2391.29
    dimethyl carbonate 524.2
    n-octane 418.06
    formamide 192.03
    cyclopentanone 6217.58
    2-pentanone 4729.13
    anisole 1771.62
    cyclopentyl methyl ether 5065.26
    gamma-butyrolactone 4838.89
    1-methoxy-2-propanol 2038.2
    pyridine 4104.0
    3-pentanone 3318.31
    furfural 3031.05
    n-dodecane 170.56
    diethylene glycol 512.79
    diisopropyl ether 2053.6
    tert-amyl alcohol 2473.71
    acetylacetone 3769.73
    n-hexadecane 216.4
    acetophenone 1804.91
    methyl propionate 2493.59
    isopentyl acetate 4491.28
    trichloroethylene 6802.69
    n-nonanol 992.82
    cyclohexanol 3498.28
    benzyl alcohol 993.0
    2-ethylhexanol 1800.13
    isooctanol 1073.51
    dipropyl ether 4940.77
    1,2-dichlorobenzene 2440.58
    ethyl lactate 873.01
    propylene carbonate 2877.61
    n-methylformamide 983.44
    2-pentanol 2028.76
    n-pentane 996.11
    1-propoxy-2-propanol 2496.36
    1-methoxy-2-propyl acetate 2930.13
    2-(2-methoxypropoxy) propanol 1178.62
    mesitylene 954.28
    ε-caprolactone 6015.23
    p-cymene 1014.09
    epichlorohydrin 5018.15
    1,1,1-trichloroethane 5869.46
    2-aminoethanol 219.44
    morpholine-4-carbaldehyde 3052.64
    sulfolane 5075.51
    2,2,4-trimethylpentane 408.5
    2-methyltetrahydrofuran 6684.22
    n-hexyl acetate 3917.79
    isooctane 341.45
    2-(2-butoxyethoxy)ethanol 1768.05
    sec-butyl acetate 3437.93
    tert-butyl acetate 4309.03
    decalin 938.21
    glycerin 189.1
    diglyme 3958.69
    acrylic acid 594.85
    isopropyl myristate 1362.11
    n-butyric acid 3570.68
    acetyl acetate 2105.26
    di(2-ethylhexyl) phthalate 686.88
    ethyl propionate 3673.85
    nitromethane 1975.37
    1,2-diethoxyethane 4582.27
    benzonitrile 1934.2
    trioctyl phosphate 620.45
    1-bromopropane 4513.39
    gamma-valerolactone 6447.89
    n-decanol 635.58
    triethyl phosphate 1269.19
    4-methyl-2-pentanol 1260.27
    propionitrile 2138.16
    vinylene carbonate 2034.19
    1,1,2-trichlorotrifluoroethane 2439.07
    DMS 1570.94
    cumene 832.09
    2-octanol 1017.04
    2-hexanone 3683.43
    octyl acetate 1474.09
    limonene 2117.49
    1,2-dimethoxyethane 4504.66
    ethyl orthosilicate 1356.49
    tributyl phosphate 901.82
    diacetone alcohol 2575.12
    N,N-dimethylaniline 1211.7
    acrylonitrile 1671.26
    aniline 1450.0
    1,3-propanediol 621.14
    bromobenzene 2931.95
    dibromomethane 5205.03
    1,1,2,2-tetrachloroethane 6608.09
    2-methyl-cyclohexyl acetate 2268.18
    tetrabutyl urea 1245.29
    diisobutyl methanol 1321.73
    2-phenylethanol 1053.76
    styrene 1494.51
    dioctyl adipate 1653.41
    dimethyl sulfate 837.03
    ethyl butyrate 4537.42
    methyl lactate 624.77
    butyl lactate 1810.97
    diethyl carbonate 2007.57
    propanediol butyl ether 1071.64
    triethyl orthoformate 2833.82
    p-tert-butyltoluene 911.45
    methyl 4-tert-butylbenzoate 1567.61
    morpholine 5399.73
    tert-butylamine 2277.89
    n-dodecanol 474.67
    dimethoxymethane 2014.23
    ethylene carbonate 2344.09
    cyrene 914.64
    2-ethoxyethyl acetate 3001.63
    2-ethylhexyl acetate 3746.17
    1,2,4-trichlorobenzene 2508.96
    4-methylpyridine 4175.68
    dibutyl ether 4323.13
    2,6-dimethyl-4-heptanol 1321.73
    DEF 4711.98
    dimethyl isosorbide 2255.06
    tetrachloroethylene 4332.49
    eugenol 1107.95
    triacetin 2281.62
    span 80 1330.66
    1,4-butanediol 227.81
    1,1-dichloroethane 5399.7
    2-methyl-1-pentanol 1401.39
    methyl formate 615.47
    2-methyl-1-butanol 1953.33
    n-decane 449.42
    butyronitrile 3112.24
    3,7-dimethyl-1-octanol 1322.99
    1-chlorooctane 1601.07
    1-chlorotetradecane 477.66
    n-nonane 512.34
    undecane 251.72
    tert-butylcyclohexane 717.38
    cyclooctane 981.01
    cyclopentanol 2809.51
    tetrahydropyran 8679.58
    tert-amyl methyl ether 3255.17
    2,5,8-trioxanonane 2008.26
    1-hexene 3150.47
    2-isopropoxyethanol 1382.82
    2,2,2-trifluoroethanol 275.26
    methyl butyrate 5062.11

    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