3-Heptadecanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    84534-29-2

    Molecular formula
    C17H34O

    SMILES
    CCCCCCCCCCCCCCC(=O)CC

  • Odor profile

    Fragrance
    Fatty 71.81%
    Waxy 68.51%
    Oily 52.75%
    Fruity 39.84%
    Dairy 37.07%
    Creamy 35.13%
    Milky 31.48%
    Coconut 28.46%
    Sweet 28.32%
    Floral 27.81%

     

    Flavor
    Waxy 65.18%
    Fatty 52.38%
    Fat 41.79%
    Fresh 38.53%
    Soapy 38.41%
    Floral 38.16%
    Oily 37.81%
    Coconut 35.69%
    Fruity 33.79%
    Mild 31.5%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    7.95 (neutral)

    Molecular weight
    254.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    328°C

    Flash point

    • 136.22 ˚C est.

  • Synonyms

    • 3-Heptadecanone
    • 84534-29-2
    • 1-Heptadecen-3-one
    • heptadecan-3-one
    • methylhexadecone
    • SCHEMBL1153187
    • DTXSID50335076
    • LMFA12000194
    • AKOS013844973

  • Applications

    3-Heptadecanone (CAS 84534-29-2) is used primarily as an analytical standard/reference in GC–MS/LC–MS and as a retention index marker for long-chain ketones; as a synthesis intermediate to access secondary alcohols (via ketone reduction), oximes/hydrazones/enamines, and acylated derivatives; investigated in studies of lipids, plant cuticular waxes, and insect semiochemicals; and serves as a precursor that can be functionalized into lubricant additives, hydrophobic coatings, and surfactant-like materials when suitably derivatized.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 503.87
    methanol 320.98
    isopropanol 851.05
    water 0.01
    ethyl acetate 3052.67
    n-propanol 770.59
    acetone 1888.82
    n-butanol 988.72
    acetonitrile 800.57
    DMF 1586.68
    toluene 1030.3
    isobutanol 807.81
    1,4-dioxane 2388.4
    methyl acetate 1533.2
    THF 4270.86
    2-butanone 2411.89
    n-pentanol 669.73
    sec-butanol 984.39
    n-hexane 853.13
    ethylene glycol 17.59
    NMP 2158.93
    cyclohexane 2217.38
    DMSO 1434.44
    n-butyl acetate 3451.36
    n-octanol 609.49
    chloroform 4569.43
    n-propyl acetate 3070.13
    acetic acid 441.17
    dichloromethane 4503.04
    cyclohexanone 5243.84
    propylene glycol 73.73
    isopropyl acetate 2687.99
    DMAc 1864.28
    2-ethoxyethanol 858.99
    isopentanol 1217.31
    n-heptane 791.45
    ethyl formate 1021.61
    1,2-dichloroethane 3413.66
    n-hexanol 828.05
    2-methoxyethanol 971.79
    isobutyl acetate 1864.44
    tetrachloromethane 1240.11
    n-pentyl acetate 2809.98
    transcutol 4215.41
    n-heptanol 575.23
    ethylbenzene 816.94
    MIBK 2084.13
    2-propoxyethanol 1164.27
    tert-butanol 1461.41
    MTBE 2758.98
    2-butoxyethanol 1085.73
    propionic acid 641.55
    o-xylene 824.73
    formic acid 42.1
    diethyl ether 2852.12
    m-xylene 785.45
    p-xylene 1176.47
    chlorobenzene 1583.88
    dimethyl carbonate 332.13
    n-octane 242.22
    formamide 104.8
    cyclopentanone 3858.98
    2-pentanone 2724.34
    anisole 1293.67
    cyclopentyl methyl ether 3131.26
    gamma-butyrolactone 3175.1
    1-methoxy-2-propanol 1174.74
    pyridine 2553.21
    3-pentanone 2086.16
    furfural 2115.26
    n-dodecane 103.07
    diethylene glycol 298.76
    diisopropyl ether 1283.76
    tert-amyl alcohol 1383.22
    acetylacetone 2491.39
    n-hexadecane 130.86
    acetophenone 1362.42
    methyl propionate 1572.99
    isopentyl acetate 3052.4
    trichloroethylene 4783.33
    n-nonanol 610.68
    cyclohexanol 1821.23
    benzyl alcohol 658.1
    2-ethylhexanol 1089.71
    isooctanol 668.23
    dipropyl ether 3187.46
    1,2-dichlorobenzene 1728.75
    ethyl lactate 605.62
    propylene carbonate 1944.34
    n-methylformamide 511.42
    2-pentanol 1022.81
    n-pentane 456.52
    1-propoxy-2-propanol 1573.35
    1-methoxy-2-propyl acetate 2070.72
    2-(2-methoxypropoxy) propanol 853.01
    mesitylene 637.89
    ε-caprolactone 3932.32
    p-cymene 706.6
    epichlorohydrin 3353.56
    1,1,1-trichloroethane 4046.34
    2-aminoethanol 103.83
    morpholine-4-carbaldehyde 2041.07
    sulfolane 3477.09
    2,2,4-trimethylpentane 247.55
    2-methyltetrahydrofuran 4124.79
    n-hexyl acetate 2586.77
    isooctane 200.23
    2-(2-butoxyethoxy)ethanol 1228.26
    sec-butyl acetate 2420.51
    tert-butyl acetate 2917.43
    decalin 590.94
    glycerin 104.53
    diglyme 2875.59
    acrylic acid 319.96
    isopropyl myristate 948.68
    n-butyric acid 1981.31
    acetyl acetate 1453.15
    di(2-ethylhexyl) phthalate 484.6
    ethyl propionate 2582.57
    nitromethane 1150.11
    1,2-diethoxyethane 3248.1
    benzonitrile 1294.04
    trioctyl phosphate 421.01
    1-bromopropane 2887.8
    gamma-valerolactone 4199.75
    n-decanol 392.22
    triethyl phosphate 991.68
    4-methyl-2-pentanol 706.44
    propionitrile 1220.62
    vinylene carbonate 1370.93
    1,1,2-trichlorotrifluoroethane 1687.8
    DMS 1105.06
    cumene 571.03
    2-octanol 608.32
    2-hexanone 2338.33
    octyl acetate 1003.68
    limonene 1427.23
    1,2-dimethoxyethane 3002.85
    ethyl orthosilicate 1044.51
    tributyl phosphate 630.16
    diacetone alcohol 1708.25
    N,N-dimethylaniline 885.32
    acrylonitrile 960.07
    aniline 878.54
    1,3-propanediol 308.22
    bromobenzene 1948.96
    dibromomethane 3424.14
    1,1,2,2-tetrachloroethane 4624.59
    2-methyl-cyclohexyl acetate 1716.32
    tetrabutyl urea 864.18
    diisobutyl methanol 850.06
    2-phenylethanol 700.42
    styrene 1001.81
    dioctyl adipate 1184.53
    dimethyl sulfate 585.29
    ethyl butyrate 3283.46
    methyl lactate 378.43
    butyl lactate 1246.88
    diethyl carbonate 1495.81
    propanediol butyl ether 671.98
    triethyl orthoformate 2123.28
    p-tert-butyltoluene 630.72
    methyl 4-tert-butylbenzoate 1163.71
    morpholine 3189.71
    tert-butylamine 1187.67
    n-dodecanol 288.59
    dimethoxymethane 1206.63
    ethylene carbonate 1554.03
    cyrene 675.86
    2-ethoxyethyl acetate 2208.2
    2-ethylhexyl acetate 2591.28
    1,2,4-trichlorobenzene 1823.96
    4-methylpyridine 2651.79
    dibutyl ether 2739.45
    2,6-dimethyl-4-heptanol 850.06
    DEF 2998.2
    dimethyl isosorbide 1753.62
    tetrachloroethylene 2993.48
    eugenol 823.42
    triacetin 1699.45
    span 80 918.59
    1,4-butanediol 120.81
    1,1-dichloroethane 3372.27
    2-methyl-1-pentanol 807.94
    methyl formate 345.49
    2-methyl-1-butanol 1006.94
    n-decane 264.75
    butyronitrile 1754.97
    3,7-dimethyl-1-octanol 815.22
    1-chlorooctane 1009.06
    1-chlorotetradecane 302.31
    n-nonane 292.75
    undecane 150.47
    tert-butylcyclohexane 461.78
    cyclooctane 548.72
    cyclopentanol 1468.74
    tetrahydropyran 5026.42
    tert-amyl methyl ether 2080.32
    2,5,8-trioxanonane 1516.02
    1-hexene 1647.4
    2-isopropoxyethanol 881.54
    2,2,2-trifluoroethanol 158.97
    methyl butyrate 3506.31

    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

Botanical

Name CAS Botanical Proportion
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%