Heptadecan-6-one

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  • Identifiers

    CAS number
    22026-13-7

    Molecular formula
    C17H34O

    SMILES
    CCCCCCCCCCCC(=O)CCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 64.41%
    Waxy 58.78%
    Oily 49.83%
    Fruity 43.2%
    Dairy 38.26%
    Floral 35.59%
    Citrus 34.04%
    Milky 32.38%
    Creamy 31.9%
    Coconut 30.95%

     

    Flavor
    Fatty 51.69%
    Waxy 49.88%
    Fat 38.72%
    Oily 34.67%
    Coconut 33.33%
    Fresh 32.15%
    Soapy 31.62%
    Herbal 30.39%
    Floral 29.76%
    Mild 29.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.1

    pKa est.
    7.53 (neutral)

    Molecular weight
    254.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    324°C

    Flash point

    • 134.46 ˚C est.

  • Synonyms

    • Heptadecan-6-one
    • 6-Heptadecanone
    • 22026-13-7
    • EINECS 244-729-4
    • NSC158527
    • SCHEMBL3414307
    • SCHEMBL3512333
    • SCHEMBL29189071
    • DTXSID20176493
    • LRVKCBZAFZUCCB-UHFFFAOYSA-N
    • AKOS024333810
    • NSC 158527
    • NSC-158527
    • NS00049172
    • 22026-13-7

  • Applications

    Heptadecan-6-one (CAS 22026-13-7) is a long-chain aliphatic ketone (C17) that is typically used as a fragrance ingredient in perfumery and cosmetics, and may function as a fixative to help retain aroma in fragrance formulations. It is evaluated for use in personal care and household products as a fragrance component. In industrial manufacturing, it can serve as a synthetic intermediate for fragrance synthesis and related aroma compounds. Additionally, it may be used as a fragrance additive in coatings, paints, and inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1543.13
    methanol 874.9
    isopropanol 2268.65
    water 0.02
    ethyl acetate 5734.07
    n-propanol 1953.22
    acetone 4953.58
    n-butanol 2338.44
    acetonitrile 1782.99
    DMF 3168.33
    toluene 1865.4
    isobutanol 1955.19
    1,4-dioxane 4433.13
    methyl acetate 2893.61
    THF 7706.97
    2-butanone 4696.92
    n-pentanol 1455.99
    sec-butanol 2266.17
    n-hexane 1765.86
    ethylene glycol 44.13
    NMP 3647.01
    cyclohexane 4117.37
    DMSO 2936.32
    n-butyl acetate 6063.58
    n-octanol 1086.42
    chloroform 7214.98
    n-propyl acetate 5079.07
    acetic acid 1005.63
    dichloromethane 6978.52
    cyclohexanone 9547.67
    propylene glycol 174.24
    isopropyl acetate 4782.91
    DMAc 2988.77
    2-ethoxyethanol 1542.96
    isopentanol 2607.89
    n-heptane 1422.4
    ethyl formate 1985.36
    1,2-dichloroethane 5727.51
    n-hexanol 1720.83
    2-methoxyethanol 2091.42
    isobutyl acetate 2929.23
    tetrachloromethane 1803.64
    n-pentyl acetate 4494.06
    transcutol 7060.58
    n-heptanol 1054.56
    ethylbenzene 1316.57
    MIBK 3580.64
    2-propoxyethanol 2202.48
    tert-butanol 3156.58
    MTBE 5225.87
    2-butoxyethanol 1855.0
    propionic acid 1394.25
    o-xylene 1367.67
    formic acid 91.74
    diethyl ether 5849.44
    m-xylene 1331.37
    p-xylene 1887.49
    chlorobenzene 2660.41
    dimethyl carbonate 590.41
    n-octane 415.3
    formamide 225.8
    cyclopentanone 6879.79
    2-pentanone 5395.99
    anisole 1936.47
    cyclopentyl methyl ether 5339.57
    gamma-butyrolactone 5407.9
    1-methoxy-2-propanol 2255.6
    pyridine 4840.85
    3-pentanone 3682.81
    furfural 3373.83
    n-dodecane 171.49
    diethylene glycol 596.4
    diisopropyl ether 2239.35
    tert-amyl alcohol 2752.47
    acetylacetone 4369.46
    n-hexadecane 217.19
    acetophenone 1998.83
    methyl propionate 2846.05
    isopentyl acetate 5243.31
    trichloroethylene 7742.77
    n-nonanol 1038.84
    cyclohexanol 3758.98
    benzyl alcohol 1088.22
    2-ethylhexanol 1959.96
    isooctanol 1137.15
    dipropyl ether 5322.98
    1,2-dichlorobenzene 2690.7
    ethyl lactate 957.43
    propylene carbonate 3270.85
    n-methylformamide 1124.23
    2-pentanol 2250.71
    n-pentane 1031.26
    1-propoxy-2-propanol 2828.73
    1-methoxy-2-propyl acetate 3474.56
    2-(2-methoxypropoxy) propanol 1284.01
    mesitylene 1027.05
    ε-caprolactone 6698.91
    p-cymene 1085.21
    epichlorohydrin 5671.85
    1,1,1-trichloroethane 6401.66
    2-aminoethanol 251.51
    morpholine-4-carbaldehyde 3443.36
    sulfolane 5430.9
    2,2,4-trimethylpentane 404.74
    2-methyltetrahydrofuran 7420.49
    n-hexyl acetate 4270.04
    isooctane 342.55
    2-(2-butoxyethoxy)ethanol 1943.04
    sec-butyl acetate 3870.96
    tert-butyl acetate 4906.63
    decalin 942.74
    glycerin 213.84
    diglyme 4492.36
    acrylic acid 668.47
    isopropyl myristate 1440.38
    n-butyric acid 4171.91
    acetyl acetate 2491.17
    di(2-ethylhexyl) phthalate 734.52
    ethyl propionate 4145.05
    nitromethane 2352.38
    1,2-diethoxyethane 5272.62
    benzonitrile 2178.45
    trioctyl phosphate 648.72
    1-bromopropane 4950.06
    gamma-valerolactone 7237.97
    n-decanol 659.87
    triethyl phosphate 1358.3
    4-methyl-2-pentanol 1365.03
    propionitrile 2396.3
    vinylene carbonate 2300.93
    1,1,2-trichlorotrifluoroethane 2640.02
    DMS 1795.92
    cumene 890.92
    2-octanol 1053.0
    2-hexanone 3996.95
    octyl acetate 1542.46
    limonene 2272.72
    1,2-dimethoxyethane 4911.48
    ethyl orthosilicate 1445.87
    tributyl phosphate 959.51
    diacetone alcohol 2896.24
    N,N-dimethylaniline 1311.44
    acrylonitrile 1874.72
    aniline 1643.3
    1,3-propanediol 742.0
    bromobenzene 3227.45
    dibromomethane 5568.65
    1,1,2,2-tetrachloroethane 7255.73
    2-methyl-cyclohexyl acetate 2513.21
    tetrabutyl urea 1320.37
    diisobutyl methanol 1416.19
    2-phenylethanol 1182.88
    styrene 1672.58
    dioctyl adipate 1751.81
    dimethyl sulfate 924.04
    ethyl butyrate 5132.07
    methyl lactate 685.55
    butyl lactate 1974.09
    diethyl carbonate 2263.13
    propanediol butyl ether 1158.75
    triethyl orthoformate 3158.91
    p-tert-butyltoluene 988.27
    methyl 4-tert-butylbenzoate 1681.43
    morpholine 6224.14
    tert-butylamine 2459.0
    n-dodecanol 490.02
    dimethoxymethane 2252.67
    ethylene carbonate 2670.26
    cyrene 956.62
    2-ethoxyethyl acetate 3441.82
    2-ethylhexyl acetate 4286.77
    1,2,4-trichlorobenzene 2792.95
    4-methylpyridine 4852.66
    dibutyl ether 4641.2
    2,6-dimethyl-4-heptanol 1416.19
    DEF 5230.1
    dimethyl isosorbide 2474.11
    tetrachloroethylene 4687.48
    eugenol 1187.85
    triacetin 2516.51
    span 80 1426.6
    1,4-butanediol 254.2
    1,1-dichloroethane 5850.64
    2-methyl-1-pentanol 1535.58
    methyl formate 696.45
    2-methyl-1-butanol 2113.02
    n-decane 447.43
    butyronitrile 3510.05
    3,7-dimethyl-1-octanol 1406.06
    1-chlorooctane 1601.57
    1-chlorotetradecane 481.26
    n-nonane 505.76
    undecane 251.44
    tert-butylcyclohexane 714.54
    cyclooctane 966.33
    cyclopentanol 2942.92
    tetrahydropyran 9915.75
    tert-amyl methyl ether 3477.15
    2,5,8-trioxanonane 2210.74
    1-hexene 3413.4
    2-isopropoxyethanol 1523.86
    2,2,2-trifluoroethanol 298.92
    methyl butyrate 5685.33

    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