4-Dodecanone

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  • Identifiers

    CAS number
    6137-26-4

    Molecular formula
    C12H24O

    SMILES
    CCCCCCCCC(=O)CCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 75.43%
    Fatty 60.81%
    Waxy 54.91%
    Floral 49.14%
    Oily 49.03%
    Herbal 48.0%
    Dairy 41.16%
    Earthy 40.29%
    Green 38.66%
    Citrus 37.65%

     

    Flavor
    Fruity 58.86%
    Waxy 51.07%
    Herbal 48.84%
    Fatty 45.39%
    Floral 44.24%
    Fresh 42.81%
    Sweet 42.0%
    Green 38.16%
    Mushroom 36.72%
    Coconut 36.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.48 (weak base)

    Molecular weight
    184.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 92.43 ˚C est.

  • Synonyms

    • 4-Dodecanone
    • Dodecan4one
    • nOctyl npropyl ketone
    • RefChem:522540
    • Dodecan-4-one
    • 6137-26-4
    • Octyl propyl ketone
    • MFCD00015300
    • NSC-158519
    • Propyl octyl ketone
    • EINECS 228-116-9
    • NSC158519
    • n-Octyl n-propyl ketone
    • SCHEMBL918091
    • DC43HC978D
    • SCHEMBL7842197
    • SCHEMBL9113563
    • SCHEMBL9114018
    • DTXSID40210287
    • AKOS009157791
    • NSC 158519
    • CS-0454161
    • NS00045509
    • 6137-26-4

  • Applications

    4-Dodecanone (CAS 6137-26-4) is used as a fragrance ingredient and chemical intermediate in perfumery and cosmetics, contributing a long-chain aliphatic character to formulations. It can function as a solvent or co-solvent in household cleaning products and other consumer formulations. In industrial manufacturing, it serves as a processing solvent and a building block for organic synthesis, and it can be a precursor to other long-chain aliphatic chemicals for polymers and specialty additives. In coatings and inks, it is employed as a diluent or processing aid to improve formulation and application. Overall, its primary applications span fragrance/intermediate, solvent, and precursor roles across multiple industries, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12835.65
    methanol 10010.8
    isopropanol 14954.66
    water 0.08
    ethyl acetate 13625.31
    n-propanol 12545.86
    acetone 21738.25
    n-butanol 11676.97
    acetonitrile 11249.42
    DMF 8774.17
    toluene 4555.35
    isobutanol 10213.06
    1,4-dioxane 11806.59
    methyl acetate 8132.83
    THF 16774.57
    2-butanone 14198.67
    n-pentanol 7357.44
    sec-butanol 12167.51
    n-hexane 9644.66
    ethylene glycol 446.65
    NMP 5540.88
    cyclohexane 8954.71
    DMSO 8514.92
    n-butyl acetate 14280.61
    n-octanol 3498.99
    chloroform 18583.1
    n-propyl acetate 10290.26
    acetic acid 4523.83
    dichloromethane 16200.5
    cyclohexanone 19057.03
    propylene glycol 1204.89
    isopropyl acetate 9124.95
    DMAc 4663.38
    2-ethoxyethanol 5134.01
    isopentanol 10294.21
    n-heptane 3565.95
    ethyl formate 5550.25
    1,2-dichloroethane 11884.68
    n-hexanol 8501.72
    2-methoxyethanol 8004.59
    isobutyl acetate 5136.14
    tetrachloromethane 3775.48
    n-pentyl acetate 6950.52
    transcutol 15971.44
    n-heptanol 3091.75
    ethylbenzene 2836.11
    MIBK 6918.99
    2-propoxyethanol 7749.57
    tert-butanol 14577.99
    MTBE 16712.59
    2-butoxyethanol 4054.17
    propionic acid 5273.84
    o-xylene 2341.12
    formic acid 563.75
    diethyl ether 20774.03
    m-xylene 2533.04
    p-xylene 3534.14
    chlorobenzene 5703.65
    dimethyl carbonate 1099.83
    n-octane 1087.55
    formamide 1008.03
    cyclopentanone 12379.36
    2-pentanone 14451.09
    anisole 3694.71
    cyclopentyl methyl ether 11242.6
    gamma-butyrolactone 9846.72
    1-methoxy-2-propanol 6880.98
    pyridine 11714.89
    3-pentanone 7722.21
    furfural 6006.69
    n-dodecane 432.06
    diethylene glycol 2504.04
    diisopropyl ether 5591.85
    tert-amyl alcohol 10837.23
    acetylacetone 7806.78
    n-hexadecane 526.42
    acetophenone 3083.43
    methyl propionate 6423.51
    isopentyl acetate 10498.83
    trichloroethylene 16273.23
    n-nonanol 2784.5
    cyclohexanol 11291.04
    benzyl alcohol 2620.88
    2-ethylhexanol 6080.15
    isooctanol 2725.37
    dipropyl ether 11613.39
    1,2-dichlorobenzene 4332.48
    ethyl lactate 1739.31
    propylene carbonate 5207.14
    n-methylformamide 4183.61
    2-pentanol 9755.16
    n-pentane 4583.95
    1-propoxy-2-propanol 7675.24
    1-methoxy-2-propyl acetate 6052.83
    2-(2-methoxypropoxy) propanol 2487.44
    mesitylene 1785.9
    ε-caprolactone 11977.65
    p-cymene 1787.23
    epichlorohydrin 10792.45
    1,1,1-trichloroethane 12507.78
    2-aminoethanol 1858.09
    morpholine-4-carbaldehyde 6038.49
    sulfolane 8229.47
    2,2,4-trimethylpentane 1069.29
    2-methyltetrahydrofuran 18241.93
    n-hexyl acetate 7747.84
    isooctane 988.14
    2-(2-butoxyethoxy)ethanol 4082.11
    sec-butyl acetate 6377.28
    tert-butyl acetate 7848.99
    decalin 2026.97
    glycerin 1103.02
    diglyme 7778.21
    acrylic acid 2640.6
    isopropyl myristate 2201.11
    n-butyric acid 12151.84
    acetyl acetate 4489.18
    di(2-ethylhexyl) phthalate 1243.86
    ethyl propionate 7093.08
    nitromethane 7333.53
    1,2-diethoxyethane 11296.79
    benzonitrile 5328.06
    trioctyl phosphate 1100.8
    1-bromopropane 13214.55
    gamma-valerolactone 12830.2
    n-decanol 1764.33
    triethyl phosphate 1630.62
    4-methyl-2-pentanol 4209.0
    propionitrile 10227.02
    vinylene carbonate 4089.95
    1,1,2-trichlorotrifluoroethane 5375.76
    DMS 2674.64
    cumene 1677.5
    2-octanol 2818.79
    2-hexanone 10496.91
    octyl acetate 2446.55
    limonene 3818.94
    1,2-dimethoxyethane 12465.75
    ethyl orthosilicate 1820.26
    tributyl phosphate 1576.21
    diacetone alcohol 5266.68
    N,N-dimethylaniline 2201.6
    acrylonitrile 7706.37
    aniline 4632.1
    1,3-propanediol 3947.66
    bromobenzene 6493.3
    dibromomethane 14199.36
    1,1,2,2-tetrachloroethane 13433.91
    2-methyl-cyclohexyl acetate 3533.7
    tetrabutyl urea 1952.12
    diisobutyl methanol 3076.71
    2-phenylethanol 2999.75
    styrene 4010.22
    dioctyl adipate 2485.85
    dimethyl sulfate 1474.5
    ethyl butyrate 7920.44
    methyl lactate 1561.17
    butyl lactate 3340.96
    diethyl carbonate 3222.9
    propanediol butyl ether 2984.8
    triethyl orthoformate 4220.13
    p-tert-butyltoluene 1639.3
    methyl 4-tert-butylbenzoate 2120.93
    morpholine 17064.79
    tert-butylamine 11100.94
    n-dodecanol 1239.28
    dimethoxymethane 5709.36
    ethylene carbonate 4616.84
    cyrene 1514.98
    2-ethoxyethyl acetate 5346.61
    2-ethylhexyl acetate 7928.2
    1,2,4-trichlorobenzene 4344.29
    4-methylpyridine 11679.37
    dibutyl ether 10142.54
    2,6-dimethyl-4-heptanol 3076.71
    DEF 10929.97
    dimethyl isosorbide 3645.23
    tetrachloroethylene 9307.38
    eugenol 1922.21
    triacetin 3332.88
    span 80 2762.08
    1,4-butanediol 1328.36
    1,1-dichloroethane 15448.77
    2-methyl-1-pentanol 6162.81
    methyl formate 2337.17
    2-methyl-1-butanol 9033.83
    n-decane 1053.11
    butyronitrile 14045.1
    3,7-dimethyl-1-octanol 3666.93
    1-chlorooctane 3366.72
    1-chlorotetradecane 958.25
    n-nonane 1303.89
    undecane 628.5
    tert-butylcyclohexane 1847.09
    cyclooctane 2043.46
    cyclopentanol 9110.64
    tetrahydropyran 25653.3
    tert-amyl methyl ether 8973.99
    2,5,8-trioxanonane 3871.6
    1-hexene 18301.26
    2-isopropoxyethanol 4334.55
    2,2,2-trifluoroethanol 892.56
    methyl butyrate 10834.05

    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