5-Decanone

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  • Identifiers

    CAS number
    820-29-1

    Molecular formula
    C10H20O

    SMILES
    CCCCCC(=O)CCCC

  • Odor profile

    Fragrance
    Herbal 67.7%
    Green 65.51%
    Fruity 60.92%
    Earthy 50.32%
    Cheesy 46.87%
    Oily 46.5%
    Fatty 45.9%
    Mushroom 44.69%
    Spicy 42.07%
    Floral 39.15%

     

    Flavor
    Herbal 53.67%
    Fruity 39.85%
    Sweet 31.44%
    Fresh 31.09%
    Mushroom 30.95%
    Fatty 30.69%
    Spicy 29.28%
    Green 27.02%
    Earthy 24.57%
    Cheese 24.17%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.77 (weak base)

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    208°C

    Flash point

    • 74.4 ˚C est.

  • Synonyms

    • 5-DECANONE
    • Decan-5-one
    • 820-29-1
    • butyl pentyl ketone
    • M5DF2T095S
    • EINECS 212-469-0
    • PENTYL BUTYL KETONE
    • NSC-244937
    • AI3-19946
    • DTXSID60231510
    • NSC 244937
    • Decan5one
    • NSC244937
    • UNII-M5DF2T095S
    • SCHEMBL493672
    • DTXCID90154001
    • MFCD00053805
    • AKOS015843195
    • NS00038163
    • F87415
    • 212-469-0

  • Applications

    5-Decanone (CAS 820-29-1) is a symmetrical medium-chain ketone that is commonly used as a solvent and intermediate in a range of industrial formulations. In perfumery, it is employed as a fragrance ingredient and odorant, contributing to long-lasting aroma profiles in blends. In cosmetics, it may be used as a fragrance component and solvent in certain formulations or as a processing aid for texture development. In coatings, inks, and cleaning products, it serves as a solvent or co-solvent for resins, dyes, and cleaners, helping improve solvency and processability. In polymers/plastics, it can function as a processing solvent or chemical intermediate during polymer synthesis or formulation of specialty polymers. In pharmaceuticals, it is often evaluated as an intermediate in organic synthesis, guiding routes to target molecules while complying with regulatory constraints. In industrial manufacturing, it is used as a general solvent in certain chemical processes, subject to formulation and handling requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6508.59
    methanol 5500.17
    isopropanol 7124.74
    water 0.32
    ethyl acetate 4587.89
    n-propanol 5602.53
    acetone 6944.99
    n-butanol 5522.35
    acetonitrile 4554.39
    DMF 4344.36
    toluene 1889.53
    isobutanol 4519.36
    1,4-dioxane 5230.07
    methyl acetate 3011.29
    THF 6848.5
    2-butanone 4577.16
    n-pentanol 3339.52
    sec-butanol 5234.22
    n-hexane 3454.17
    ethylene glycol 461.24
    NMP 2921.95
    cyclohexane 3516.75
    DMSO 3634.03
    n-butyl acetate 5811.22
    n-octanol 1945.08
    chloroform 10344.79
    n-propyl acetate 3074.08
    acetic acid 3013.54
    dichloromethane 7725.16
    cyclohexanone 7184.85
    propylene glycol 1029.51
    isopropyl acetate 3045.97
    DMAc 2251.06
    2-ethoxyethanol 2212.67
    isopentanol 4648.86
    n-heptane 1824.68
    ethyl formate 2563.44
    1,2-dichloroethane 4640.24
    n-hexanol 5112.93
    2-methoxyethanol 3803.01
    isobutyl acetate 1859.62
    tetrachloromethane 2031.39
    n-pentyl acetate 2796.3
    transcutol 6754.55
    n-heptanol 1835.61
    ethylbenzene 1265.5
    MIBK 2333.37
    2-propoxyethanol 4000.53
    tert-butanol 6888.26
    MTBE 5517.04
    2-butoxyethanol 2253.93
    propionic acid 2927.83
    o-xylene 1070.84
    formic acid 503.64
    diethyl ether 5842.37
    m-xylene 1144.56
    p-xylene 1649.69
    chlorobenzene 2827.0
    dimethyl carbonate 547.61
    n-octane 568.78
    formamide 676.18
    cyclopentanone 5488.14
    2-pentanone 4328.74
    anisole 1713.87
    cyclopentyl methyl ether 3740.61
    gamma-butyrolactone 4505.29
    1-methoxy-2-propanol 3180.11
    pyridine 5567.76
    3-pentanone 2477.84
    furfural 3368.42
    n-dodecane 272.67
    diethylene glycol 1673.68
    diisopropyl ether 1764.73
    tert-amyl alcohol 4783.29
    acetylacetone 2966.47
    n-hexadecane 320.99
    acetophenone 1511.94
    methyl propionate 2266.4
    isopentyl acetate 4479.07
    trichloroethylene 7853.17
    n-nonanol 1551.02
    cyclohexanol 5027.61
    benzyl alcohol 1457.16
    2-ethylhexanol 3251.47
    isooctanol 1474.78
    dipropyl ether 4373.48
    1,2-dichlorobenzene 2176.49
    ethyl lactate 828.33
    propylene carbonate 2718.89
    n-methylformamide 2024.06
    2-pentanol 4140.26
    n-pentane 1993.98
    1-propoxy-2-propanol 3752.08
    1-methoxy-2-propyl acetate 2480.68
    2-(2-methoxypropoxy) propanol 1479.78
    mesitylene 810.04
    ε-caprolactone 4964.62
    p-cymene 959.48
    epichlorohydrin 4612.45
    1,1,1-trichloroethane 5556.03
    2-aminoethanol 1404.43
    morpholine-4-carbaldehyde 2956.01
    sulfolane 3922.41
    2,2,4-trimethylpentane 482.53
    2-methyltetrahydrofuran 6166.02
    n-hexyl acetate 3396.64
    isooctane 456.9
    2-(2-butoxyethoxy)ethanol 2210.07
    sec-butyl acetate 2020.55
    tert-butyl acetate 2585.02
    decalin 876.2
    glycerin 970.93
    diglyme 3826.6
    acrylic acid 1849.88
    isopropyl myristate 1109.8
    n-butyric acid 6143.65
    acetyl acetate 1903.22
    di(2-ethylhexyl) phthalate 767.02
    ethyl propionate 2193.12
    nitromethane 3492.23
    1,2-diethoxyethane 3841.25
    benzonitrile 2939.36
    trioctyl phosphate 647.55
    1-bromopropane 4837.11
    gamma-valerolactone 5418.83
    n-decanol 1042.1
    triethyl phosphate 831.3
    4-methyl-2-pentanol 1946.69
    propionitrile 4382.83
    vinylene carbonate 2287.84
    1,1,2-trichlorotrifluoroethane 2949.11
    DMS 1312.58
    cumene 846.94
    2-octanol 1489.81
    2-hexanone 3371.44
    octyl acetate 1284.16
    limonene 1867.8
    1,2-dimethoxyethane 5030.14
    ethyl orthosilicate 900.8
    tributyl phosphate 860.77
    diacetone alcohol 2114.04
    N,N-dimethylaniline 1152.7
    acrylonitrile 3793.58
    aniline 2196.77
    1,3-propanediol 2376.99
    bromobenzene 3083.27
    dibromomethane 6327.41
    1,1,2,2-tetrachloroethane 6778.49
    2-methyl-cyclohexyl acetate 1724.49
    tetrabutyl urea 1049.74
    diisobutyl methanol 1576.46
    2-phenylethanol 1814.29
    styrene 1766.54
    dioctyl adipate 1357.93
    dimethyl sulfate 745.92
    ethyl butyrate 3054.51
    methyl lactate 820.25
    butyl lactate 1668.82
    diethyl carbonate 1543.62
    propanediol butyl ether 1824.17
    triethyl orthoformate 1812.86
    p-tert-butyltoluene 894.27
    methyl 4-tert-butylbenzoate 1210.94
    morpholine 7128.72
    tert-butylamine 5270.17
    n-dodecanol 766.98
    dimethoxymethane 2130.72
    ethylene carbonate 2355.94
    cyrene 890.68
    2-ethoxyethyl acetate 2232.61
    2-ethylhexyl acetate 3394.85
    1,2,4-trichlorobenzene 2258.29
    4-methylpyridine 5070.29
    dibutyl ether 3630.99
    2,6-dimethyl-4-heptanol 1576.46
    DEF 3845.17
    dimethyl isosorbide 1968.06
    tetrachloroethylene 4728.41
    eugenol 1194.4
    triacetin 1683.99
    span 80 1734.24
    1,4-butanediol 871.32
    1,1-dichloroethane 6703.38
    2-methyl-1-pentanol 2675.17
    methyl formate 1280.04
    2-methyl-1-butanol 3808.16
    n-decane 576.42
    butyronitrile 5978.74
    3,7-dimethyl-1-octanol 1856.5
    1-chlorooctane 1613.16
    1-chlorotetradecane 540.39
    n-nonane 676.29
    undecane 372.29
    tert-butylcyclohexane 774.32
    cyclooctane 837.01
    cyclopentanol 4417.51
    tetrahydropyran 8983.54
    tert-amyl methyl ether 3030.09
    2,5,8-trioxanonane 2193.49
    1-hexene 6020.2
    2-isopropoxyethanol 1851.84
    2,2,2-trifluoroethanol 647.08
    methyl butyrate 3675.79

    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