6-Dodecanone

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  • Identifiers

    CAS number
    6064-27-3

    Molecular formula
    C12H24O

    SMILES
    CCCCCCC(=O)CCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 57.06%
    Fruity 55.66%
    Herbal 51.62%
    Waxy 49.19%
    Oily 48.48%
    Green 44.95%
    Earthy 44.49%
    Mushroom 42.3%
    Floral 42.09%
    Cheesy 41.82%

     

    Flavor
    Herbal 51.25%
    Fatty 42.24%
    Fresh 37.16%
    Fruity 36.94%
    Waxy 36.17%
    Mushroom 32.86%
    Floral 31.95%
    Fat 30.46%
    Green 30.0%
    Oily 29.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.5 (weak base)

    Molecular weight
    184.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 95.33 ˚C est.

  • Synonyms

    • 6-Dodecanone
    • 6064-27-3
    • AI3-07073
    • DTXSID90209444
    • RefChem:104566
    • DTXCID10131935
    • ZAQZICGOYPRHCK-UHFFFAOYSA-N
    • dodecan-6-one
    • SCHEMBL5725
    • SCHEMBL6050099
    • SCHEMBL7840205
    • SCHEMBL27841904
    • MFCD00060973
    • AKOS006271830
    • SY465166
    • DB-359542
    • 6064-27-3

  • Applications

    6-Dodecanone (CAS 6064-27-3) is a long-chain aliphatic ketone commonly used as an odorant/fragrance ingredient and as an intermediate in organic synthesis. In industry, it may be used as a fragrance component in perfumery and cosmetics, as a solvent or processing aid in coatings, inks, and cleaning formulations, as an intermediate for the synthesis of other fragrance compounds, and in household products as an odorant modifier.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8000.25
    methanol 6109.6
    isopropanol 9143.61
    water 0.07
    ethyl acetate 11717.38
    n-propanol 7807.65
    acetone 17506.16
    n-butanol 7769.67
    acetonitrile 8644.13
    DMF 8112.72
    toluene 4487.06
    isobutanol 6661.25
    1,4-dioxane 9809.94
    methyl acetate 6905.54
    THF 14468.85
    2-butanone 11623.87
    n-pentanol 4700.9
    sec-butanol 7718.73
    n-hexane 6878.91
    ethylene glycol 351.09
    NMP 6045.28
    cyclohexane 7525.22
    DMSO 7528.96
    n-butyl acetate 11998.68
    n-octanol 2459.72
    chloroform 16961.09
    n-propyl acetate 7996.12
    acetic acid 3784.67
    dichloromethane 14712.91
    cyclohexanone 17516.98
    propylene glycol 932.39
    isopropyl acetate 7730.57
    DMAc 4534.89
    2-ethoxyethanol 3539.4
    isopentanol 7143.9
    n-heptane 2702.63
    ethyl formate 4742.09
    1,2-dichloroethane 11299.89
    n-hexanol 5974.75
    2-methoxyethanol 5914.31
    isobutyl acetate 4166.18
    tetrachloromethane 3566.63
    n-pentyl acetate 5729.04
    transcutol 12887.33
    n-heptanol 2232.94
    ethylbenzene 2636.89
    MIBK 5574.77
    2-propoxyethanol 5853.39
    tert-butanol 9923.67
    MTBE 12561.75
    2-butoxyethanol 3211.6
    propionic acid 4210.86
    o-xylene 2421.99
    formic acid 498.27
    diethyl ether 15190.64
    m-xylene 2573.99
    p-xylene 3384.86
    chlorobenzene 5672.24
    dimethyl carbonate 1130.41
    n-octane 800.32
    formamide 971.58
    cyclopentanone 12438.53
    2-pentanone 11969.9
    anisole 3430.89
    cyclopentyl methyl ether 9854.02
    gamma-butyrolactone 9785.4
    1-methoxy-2-propanol 5096.03
    pyridine 11368.36
    3-pentanone 6996.22
    furfural 6187.79
    n-dodecane 325.89
    diethylene glycol 2051.21
    diisopropyl ether 4367.65
    tert-amyl alcohol 7707.72
    acetylacetone 7490.46
    n-hexadecane 405.29
    acetophenone 2992.49
    methyl propionate 5643.19
    isopentyl acetate 9111.11
    trichloroethylene 16347.76
    n-nonanol 2014.69
    cyclohexanol 8985.03
    benzyl alcohol 2288.28
    2-ethylhexanol 4614.04
    isooctanol 2011.13
    dipropyl ether 8614.54
    1,2-dichlorobenzene 4525.88
    ethyl lactate 1509.98
    propylene carbonate 5209.51
    n-methylformamide 3587.75
    2-pentanol 6450.07
    n-pentane 3325.78
    1-propoxy-2-propanol 6008.54
    1-methoxy-2-propyl acetate 5488.97
    2-(2-methoxypropoxy) propanol 2243.09
    mesitylene 1737.34
    ε-caprolactone 10832.18
    p-cymene 1669.0
    epichlorohydrin 9712.71
    1,1,1-trichloroethane 12278.05
    2-aminoethanol 1340.94
    morpholine-4-carbaldehyde 5796.32
    sulfolane 8641.35
    2,2,4-trimethylpentane 833.63
    2-methyltetrahydrofuran 14836.15
    n-hexyl acetate 6429.9
    isooctane 749.38
    2-(2-butoxyethoxy)ethanol 3495.8
    sec-butyl acetate 5268.74
    tert-butyl acetate 6815.49
    decalin 1777.24
    glycerin 919.93
    diglyme 6754.28
    acrylic acid 2440.14
    isopropyl myristate 1936.61
    n-butyric acid 9614.43
    acetyl acetate 4374.94
    di(2-ethylhexyl) phthalate 1175.96
    ethyl propionate 5994.14
    nitromethane 6540.63
    1,2-diethoxyethane 8916.68
    benzonitrile 4951.58
    trioctyl phosphate 991.15
    1-bromopropane 10978.99
    gamma-valerolactone 11995.92
    n-decanol 1307.26
    triethyl phosphate 1566.73
    4-methyl-2-pentanol 3026.58
    propionitrile 7936.63
    vinylene carbonate 4143.04
    1,1,2-trichlorotrifluoroethane 5187.58
    DMS 2726.51
    cumene 1555.11
    2-octanol 2079.07
    2-hexanone 7806.52
    octyl acetate 2102.27
    limonene 3433.44
    1,2-dimethoxyethane 9361.16
    ethyl orthosilicate 1734.05
    tributyl phosphate 1471.1
    diacetone alcohol 4583.79
    N,N-dimethylaniline 2077.08
    acrylonitrile 6414.58
    aniline 4319.55
    1,3-propanediol 2849.44
    bromobenzene 6659.02
    dibromomethane 12533.02
    1,1,2,2-tetrachloroethane 13526.65
    2-methyl-cyclohexyl acetate 3310.17
    tetrabutyl urea 1776.16
    diisobutyl methanol 2456.08
    2-phenylethanol 2678.21
    styrene 3693.82
    dioctyl adipate 2337.34
    dimethyl sulfate 1615.65
    ethyl butyrate 7004.06
    methyl lactate 1419.37
    butyl lactate 2944.69
    diethyl carbonate 3065.13
    propanediol butyl ether 2387.56
    triethyl orthoformate 3847.58
    p-tert-butyltoluene 1546.57
    methyl 4-tert-butylbenzoate 2051.1
    morpholine 13629.0
    tert-butylamine 8013.25
    n-dodecanol 942.53
    dimethoxymethane 4908.07
    ethylene carbonate 4502.76
    cyrene 1429.77
    2-ethoxyethyl acetate 4786.79
    2-ethylhexyl acetate 7063.77
    1,2,4-trichlorobenzene 4642.49
    4-methylpyridine 10677.21
    dibutyl ether 7795.18
    2,6-dimethyl-4-heptanol 2456.08
    DEF 9667.46
    dimethyl isosorbide 3470.85
    tetrachloroethylene 9062.41
    eugenol 1832.57
    triacetin 3235.02
    span 80 2485.49
    1,4-butanediol 975.68
    1,1-dichloroethane 13849.37
    2-methyl-1-pentanol 4114.94
    methyl formate 2115.72
    2-methyl-1-butanol 6155.59
    n-decane 776.84
    butyronitrile 10848.79
    3,7-dimethyl-1-octanol 2772.3
    1-chlorooctane 2675.74
    1-chlorotetradecane 772.43
    n-nonane 927.77
    undecane 471.33
    tert-butylcyclohexane 1475.54
    cyclooctane 1703.14
    cyclopentanol 7323.45
    tetrahydropyran 20562.13
    tert-amyl methyl ether 7085.85
    2,5,8-trioxanonane 3456.81
    1-hexene 12525.22
    2-isopropoxyethanol 3144.14
    2,2,2-trifluoroethanol 868.08
    methyl butyrate 9366.06

    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