2-Decanone

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  • Identifiers

    CAS number
    693-54-9

    Molecular formula
    C10H20O

    SMILES
    CCCCCCCCC(=O)C

    Safety labels

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1191.5
    • Carbowax: 1482.8

  • Odor profile

    Fruity 80.16%
    Fatty 74.06%
    Waxy 65.82%
    Floral 65.3%
    Herbal 57.94%
    Green 55.26%
    Earthy 52.51%
    Fresh 50.31%
    Dairy 48.81%
    Cheesy 47.57%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 14 °C

    Boiling point

    • 210.00 °C. @ 760.00 mm Hg

    Flash point est.
    74.09 ˚C

    Flash point expt.

    • [ChemIDplus] 71 °C

    Solubility expt.

    • 0.0768 mg/mL at 25 °C
    • Insoluble in water; soluble in fats and oils
    • Insoluble (in ethanol)

  • Synonyms

    • 2-Decanone
    • Decan-2-one
    • 693-54-9
    • METHYL OCTYL KETONE
    • Methyl n-octyl ketone
    • Octyl methyl ketone
    • UNII-GX543OLT0R
    • n-C8H17COCH3
    • EINECS 211-752-6
    • GX543OLT0R
    • MFCD00009571
    • BRN 1747463
    • DTXSID9022104
    • CHEBI:77929
    • 2-DECANONE [FHFI]
    • CHEMBL47127
    • DTXCID002104
    • FEMA NO. 4271
    • 4-01-00-03367 (Beilstein Handbook Reference)
    • 2-Decanone, >=98%
    • Methyl noctyl ketone
    • 2-Decanone, 98%
    • SCHEMBL103053
    • 2-Decanone, analytical standard
    • Tox21_303799
    • BDBM50409665
    • LMFA12000044
    • AKOS009158912
    • NCGC00357084-01
    • AS-56271
    • CAS-693-54-9
    • SY020322
    • DB-003265
    • D1643
    • NS00022695
    • D89897
    • EN300-170618
    • Q20054515

  • Applications

    2-Decanone (also known as methyl nonyl ketone, CAS 693-54-9) is a straight-chain ketone with a coconut-and-blue-cheese scent, widely employed as a flavouring in confectionery, beverages and dairy products and classified as GRAS by FEMA; in cosmetics and household cleaners it provides fruity notes, reinforces woody-musk accords and solubilises essential oils; thanks to its high boiling point and moderate polarity, 2-Decanone is chosen as a solvent for alkyd resins, nitrocellulose, surface coatings, printing inks, adhesives and as an extraction medium for botanicals; in organic synthesis it serves as an intermediate for secondary alcohols, decanoic acid, surfactants, plasticisers and agrochemical actives; in life-science research it is studied as a volatile bacterial signal, a spoilage marker in food aroma, a mild antifungal agent and has been registered as an insect and tick repellent, underlining its broad utility across food, cosmetic, coating, agrochemical and analytical fields.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10469.83
    methanol 9151.65
    isopropanol 10644.59
    water 0.21
    ethyl acetate 6715.23
    n-propanol 8644.88
    acetone 11172.51
    n-butanol 7842.11
    acetonitrile 5523.29
    DMF 4578.78
    toluene 2166.01
    isobutanol 6365.29
    1,4-dioxane 7430.36
    methyl acetate 4295.37
    THF 10149.35
    2-butanone 6991.4
    n-pentanol 5095.2
    sec-butanol 7653.08
    n-hexane 5870.84
    ethylene glycol 658.71
    NMP 3005.52
    cyclohexane 3936.75
    DMSO 5422.03
    n-butyl acetate 6117.48
    n-octanol 2077.57
    chloroform 9479.04
    n-propyl acetate 4342.08
    acetic acid 3278.92
    dichloromethane 7189.9
    cyclohexanone 8321.07
    propylene glycol 1687.13
    isopropyl acetate 4229.75
    DMAc 2680.02
    2-ethoxyethanol 3773.63
    isopentanol 6501.75
    n-heptane 2033.16
    ethyl formate 2585.48
    1,2-dichloroethane 4925.07
    n-hexanol 6001.33
    2-methoxyethanol 6008.62
    isobutyl acetate 2342.18
    tetrachloromethane 2041.09
    n-pentyl acetate 2939.67
    transcutol 10396.38
    n-heptanol 1929.51
    ethylbenzene 1324.42
    MIBK 3256.8
    2-propoxyethanol 5647.47
    tert-butanol 10630.97
    MTBE 9164.9
    2-butoxyethanol 2631.15
    propionic acid 3786.95
    o-xylene 1193.37
    formic acid 574.89
    diethyl ether 10486.54
    m-xylene 1407.26
    p-xylene 1624.2
    chlorobenzene 2289.04
    dimethyl carbonate 556.73
    n-octane 547.5
    formamide 760.81
    cyclopentanone 6243.1
    2-pentanone 6705.79
    anisole 1883.56
    cyclopentyl methyl ether 6276.09
    gamma-butyrolactone 4903.56
    1-methoxy-2-propanol 5125.98
    pyridine 5477.07
    3-pentanone 3777.1
    furfural 3048.61
    n-dodecane 231.44
    diethylene glycol 2276.42
    diisopropyl ether 2791.94
    tert-amyl alcohol 7254.74
    acetylacetone 3789.3
    n-hexadecane 272.34
    acetophenone 1441.62
    methyl propionate 3440.64
    isopentyl acetate 4585.94
    trichloroethylene 6930.79
    n-nonanol 1652.91
    cyclohexanol 6730.56
    benzyl alcohol 1519.45
    2-ethylhexanol 3681.24
    isooctanol 1609.19
    dipropyl ether 6164.29
    1,2-dichlorobenzene 1775.62
    ethyl lactate 1054.09
    propylene carbonate 2538.8
    n-methylformamide 2442.76
    2-pentanol 5936.44
    n-pentane 2682.82
    1-propoxy-2-propanol 5136.54
    1-methoxy-2-propyl acetate 3222.55
    2-(2-methoxypropoxy) propanol 1674.8
    mesitylene 910.89
    ε-caprolactone 5642.57
    p-cymene 849.33
    epichlorohydrin 5351.65
    1,1,1-trichloroethane 5700.86
    2-aminoethanol 2200.21
    morpholine-4-carbaldehyde 3595.47
    sulfolane 4391.89
    2,2,4-trimethylpentane 640.3
    2-methyltetrahydrofuran 10002.49
    n-hexyl acetate 3699.26
    isooctane 547.31
    2-(2-butoxyethoxy)ethanol 2739.64
    sec-butyl acetate 2856.55
    tert-butyl acetate 3883.98
    decalin 1073.62
    glycerin 1365.28
    diglyme 4684.73
    acrylic acid 1941.88
    isopropyl myristate 1066.38
    n-butyric acid 6943.0
    acetyl acetate 2179.16
    di(2-ethylhexyl) phthalate 676.31
    ethyl propionate 3224.75
    nitromethane 3987.37
    1,2-diethoxyethane 5515.95
    benzonitrile 2444.53
    trioctyl phosphate 592.95
    1-bromopropane 6199.62
    gamma-valerolactone 6418.83
    n-decanol 1084.94
    triethyl phosphate 807.37
    4-methyl-2-pentanol 2539.39
    propionitrile 5374.79
    vinylene carbonate 1970.56
    1,1,2-trichlorotrifluoroethane 3455.66
    DMS 1392.02
    cumene 829.53
    2-octanol 1553.79
    2-hexanone 4932.92
    octyl acetate 1217.06
    limonene 1896.24
    1,2-dimethoxyethane 7094.53
    ethyl orthosilicate 955.88
    tributyl phosphate 841.77
    diacetone alcohol 3176.59
    N,N-dimethylaniline 1124.76
    acrylonitrile 4211.37
    aniline 2679.98
    1,3-propanediol 3380.19
    bromobenzene 2561.77
    dibromomethane 6442.98
    1,1,2,2-tetrachloroethane 6308.18
    2-methyl-cyclohexyl acetate 1788.51
    tetrabutyl urea 1001.8
    diisobutyl methanol 1734.75
    2-phenylethanol 1776.29
    styrene 1791.97
    dioctyl adipate 1262.76
    dimethyl sulfate 746.77
    ethyl butyrate 3401.0
    methyl lactate 1077.44
    butyl lactate 1720.23
    diethyl carbonate 1517.0
    propanediol butyl ether 2145.71
    triethyl orthoformate 2047.82
    p-tert-butyltoluene 832.98
    methyl 4-tert-butylbenzoate 1139.93
    morpholine 10479.32
    tert-butylamine 7614.32
    n-dodecanol 772.72
    dimethoxymethane 3020.77
    ethylene carbonate 2203.59
    cyrene 989.08
    2-ethoxyethyl acetate 2637.76
    2-ethylhexyl acetate 3497.31
    1,2,4-trichlorobenzene 1904.84
    4-methylpyridine 5266.76
    dibutyl ether 4840.15
    2,6-dimethyl-4-heptanol 1734.75
    DEF 5121.41
    dimethyl isosorbide 2140.3
    tetrachloroethylene 4397.91
    eugenol 1087.23
    triacetin 1839.03
    span 80 1868.47
    1,4-butanediol 1188.29
    1,1-dichloroethane 7154.16
    2-methyl-1-pentanol 3795.11
    methyl formate 1302.54
    2-methyl-1-butanol 5486.66
    n-decane 546.36
    butyronitrile 6791.7
    3,7-dimethyl-1-octanol 2141.52
    1-chlorooctane 1641.97
    1-chlorotetradecane 480.65
    n-nonane 682.64
    undecane 328.67
    tert-butylcyclohexane 1033.68
    cyclooctane 988.92
    cyclopentanol 5930.77
    tetrahydropyran 13305.81
    tert-amyl methyl ether 5176.16
    2,5,8-trioxanonane 2431.04
    1-hexene 10351.26
    2-isopropoxyethanol 3053.85
    2,2,2-trifluoroethanol 635.02
    methyl butyrate 4623.18

    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
Boldo leaf Boldea fragrans Juss. (Peumus boldus Mol.) 0.05%
Piper hancei (China) Piper hancei Maxim, fam. Piperaceae 0.01%
Rhanterium Rhanterium epapposum Oliv. 1.54%
Rue (Malaysia) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 1.05%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Rue (Malaysia) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 1.12%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.06%
Rue (Egypt) 8014-29-7 Ruta graveolens L., fam. Rutaceae 2.8%
Ambrette seed 2 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 0.1%
Ambrette seed 4 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 0.1%
Ambrette seed 3 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 0.1%
Rue (Spain) 8014-29-7 Ruta graveolens L., fam. Rutaceae 1.51%
Rue (China) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 1.34%
Machilus bombycina Machilus bombicyna King, fam. Lauraceae 0.3%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.3%
Ruta chalepensis (Turkey) Ruta chalepensis L., fam. Rutaceae 1.56%
Rue (Cuba) 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.72%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 1.31%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%
Anthoxanthum odoratum (Italy) 1b hay Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.3%
Ruta chalepensis (Iran) Ruta chalepensis L., fam. Rutaceae 1.6%