2,4-Heptadecanedione

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  • Identifiers

    CAS number
    64042-18-8

    Molecular formula
    C17H32O2

    SMILES
    CCCCCCCCCCCCCC(=O)CC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 62.17%
    Waxy 54.71%
    Fruity 47.59%
    Floral 40.08%
    Oily 39.87%
    Dairy 37.72%
    Creamy 36.9%
    Milky 34.92%
    Woody 34.07%
    Orris 28.62%

     

    Flavor
    Fatty 52.09%
    Waxy 46.3%
    Fruity 43.51%
    Floral 38.15%
    Oily 36.99%
    Fat 33.47%
    Herbal 33.03%
    Coconut 32.51%
    Creamy 32.45%
    Woody 31.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    7.57 (neutral)

    Molecular weight
    268.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    348°C

    Melting point expt.

    • 42.5 °C

    Flash point

    • 150.97 ˚C est.

  • Synonyms

    • 2,4-Heptadecanedione
    • Heptadecane-2,4-dione
    • 64042-18-8
    • 2,4-Heptadecadione
    • Myristoylacetone
    • Tetradecanoylacetone
    • 2,4-Heptadecanedione #
    • SCHEMBL6295743
    • DTXSID4073590
    • CHEBI:171737
    • VZRNDOSIHXJXCH-UHFFFAOYSA-N
    • 64042-18-8

  • Applications

    2,4-Heptadecanedione (CAS 64042-18-8) is a long-chain diketone primarily used as a fragrance ingredient and odor fixative in perfumery, cosmetics, and personal care formulations, where it contributes to scent profile and longevity. It is also viewed as an intermediate in the synthesis of specialty fragrance compounds and may be employed as an additive in household products (cleaners, air fresheners) to impart or preserve aroma; in coatings and inks industries, it can serve as a fragrance component or odor-masking additive; and in polymers/plastics applications, it may be added as a fragrance or odor-delivering additive for scented plastic products. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 333.69
    methanol 297.2
    isopropanol 444.5
    water 0.03
    ethyl acetate 851.13
    n-propanol 383.77
    acetone 1017.05
    n-butanol 416.47
    acetonitrile 343.33
    DMF 1101.47
    toluene 325.54
    isobutanol 392.52
    1,4-dioxane 905.48
    methyl acetate 538.65
    THF 2206.47
    2-butanone 908.82
    n-pentanol 289.71
    sec-butanol 421.16
    n-hexane 182.6
    ethylene glycol 21.61
    NMP 1475.33
    cyclohexane 443.45
    DMSO 1248.17
    n-butyl acetate 799.22
    n-octanol 190.48
    chloroform 1843.41
    n-propyl acetate 799.56
    acetic acid 296.88
    dichloromethane 1635.3
    cyclohexanone 2134.99
    propylene glycol 84.47
    isopropyl acetate 739.27
    DMAc 1158.87
    2-ethoxyethanol 416.92
    isopentanol 483.88
    n-heptane 102.45
    ethyl formate 375.53
    1,2-dichloroethane 1251.91
    n-hexanol 306.89
    2-methoxyethanol 601.67
    isobutyl acetate 561.4
    tetrachloromethane 375.86
    n-pentyl acetate 686.18
    transcutol 1876.02
    n-heptanol 170.42
    ethylbenzene 242.97
    MIBK 744.71
    2-propoxyethanol 529.42
    tert-butanol 686.97
    MTBE 833.13
    2-butoxyethanol 386.27
    propionic acid 354.09
    o-xylene 273.44
    formic acid 48.36
    diethyl ether 730.32
    m-xylene 272.53
    p-xylene 341.69
    chlorobenzene 557.18
    dimethyl carbonate 154.67
    n-octane 37.42
    formamide 100.37
    cyclopentanone 2009.56
    2-pentanone 963.29
    anisole 434.17
    cyclopentyl methyl ether 1262.81
    gamma-butyrolactone 1688.43
    1-methoxy-2-propanol 650.22
    pyridine 857.06
    3-pentanone 687.46
    furfural 1012.72
    n-dodecane 21.46
    diethylene glycol 235.77
    diisopropyl ether 288.91
    tert-amyl alcohol 570.09
    acetylacetone 1027.22
    n-hexadecane 27.05
    acetophenone 484.42
    methyl propionate 573.67
    isopentyl acetate 789.26
    trichloroethylene 1900.59
    n-nonanol 182.4
    cyclohexanol 789.17
    benzyl alcohol 302.53
    2-ethylhexanol 304.23
    isooctanol 190.49
    dipropyl ether 619.55
    1,2-dichlorobenzene 584.99
    ethyl lactate 266.22
    propylene carbonate 910.49
    n-methylformamide 345.36
    2-pentanol 366.81
    n-pentane 90.9
    1-propoxy-2-propanol 548.72
    1-methoxy-2-propyl acetate 668.01
    2-(2-methoxypropoxy) propanol 408.25
    mesitylene 210.37
    ε-caprolactone 1471.57
    p-cymene 171.6
    epichlorohydrin 1597.14
    1,1,1-trichloroethane 1424.17
    2-aminoethanol 106.25
    morpholine-4-carbaldehyde 1081.23
    sulfolane 2186.24
    2,2,4-trimethylpentane 59.75
    2-methyltetrahydrofuran 1654.63
    n-hexyl acetate 775.88
    isooctane 41.79
    2-(2-butoxyethoxy)ethanol 542.27
    sec-butyl acetate 626.2
    tert-butyl acetate 888.44
    decalin 147.01
    glycerin 123.98
    diglyme 1113.91
    acrylic acid 212.79
    isopropyl myristate 271.62
    n-butyric acid 831.41
    acetyl acetate 459.99
    di(2-ethylhexyl) phthalate 203.56
    ethyl propionate 661.61
    nitromethane 698.28
    1,2-diethoxyethane 754.84
    benzonitrile 447.81
    trioctyl phosphate 159.0
    1-bromopropane 843.35
    gamma-valerolactone 2001.38
    n-decanol 122.5
    triethyl phosphate 295.28
    4-methyl-2-pentanol 257.64
    propionitrile 411.34
    vinylene carbonate 640.96
    1,1,2-trichlorotrifluoroethane 956.94
    DMS 422.55
    cumene 176.12
    2-octanol 159.76
    2-hexanone 794.49
    octyl acetate 312.69
    limonene 355.92
    1,2-dimethoxyethane 1102.66
    ethyl orthosilicate 286.12
    tributyl phosphate 223.55
    diacetone alcohol 765.35
    N,N-dimethylaniline 316.51
    acrylonitrile 397.48
    aniline 353.64
    1,3-propanediol 235.48
    bromobenzene 612.37
    dibromomethane 1166.13
    1,1,2,2-tetrachloroethane 2002.87
    2-methyl-cyclohexyl acetate 537.89
    tetrabutyl urea 315.33
    diisobutyl methanol 203.98
    2-phenylethanol 291.68
    styrene 294.28
    dioctyl adipate 420.0
    dimethyl sulfate 355.38
    ethyl butyrate 670.82
    methyl lactate 237.02
    butyl lactate 448.81
    diethyl carbonate 358.8
    propanediol butyl ether 342.05
    triethyl orthoformate 491.45
    p-tert-butyltoluene 167.48
    methyl 4-tert-butylbenzoate 469.37
    morpholine 1335.49
    tert-butylamine 474.54
    n-dodecanol 92.38
    dimethoxymethane 572.96
    ethylene carbonate 631.89
    cyrene 413.34
    2-ethoxyethyl acetate 650.73
    2-ethylhexyl acetate 635.34
    1,2,4-trichlorobenzene 686.31
    4-methylpyridine 890.84
    dibutyl ether 588.52
    2,6-dimethyl-4-heptanol 203.98
    DEF 1027.02
    dimethyl isosorbide 839.54
    tetrachloroethylene 1206.98
    eugenol 359.05
    triacetin 684.37
    span 80 419.69
    1,4-butanediol 87.96
    1,1-dichloroethane 1269.0
    2-methyl-1-pentanol 316.34
    methyl formate 224.38
    2-methyl-1-butanol 414.91
    n-decane 49.81
    butyronitrile 549.43
    3,7-dimethyl-1-octanol 242.57
    1-chlorooctane 251.28
    1-chlorotetradecane 78.37
    n-nonane 51.15
    undecane 30.57
    tert-butylcyclohexane 108.32
    cyclooctane 95.97
    cyclopentanol 785.52
    tetrahydropyran 1666.59
    tert-amyl methyl ether 647.51
    2,5,8-trioxanonane 709.66
    1-hexene 436.81
    2-isopropoxyethanol 388.36
    2,2,2-trifluoroethanol 121.65
    methyl butyrate 922.96

    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