2-Dodecanone

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  • Identifiers

    CAS number
    6175-49-1

    Molecular formula
    C12H24O

    SMILES
    CCCCCCCCCCC(=O)C

    Safety labels

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1394.5
    • Carbowax: 1681.0

  • Odor profile

    Fragrance
    Fruity 75.17%
    Fatty 71.41%
    Waxy 66.25%
    Floral 65.44%
    Oily 48.53%
    Orange 47.05%
    Dairy 46.45%
    Citrus 45.57%
    Fresh 45.07%
    Jasmin 43.0%

     

    Flavor
    Floral 64.5%
    Waxy 61.48%
    Fatty 58.03%
    Fresh 56.58%
    Fruity 56.2%
    Orange 52.22%
    Citrus 50.86%
    Herbal 47.11%
    Green 46.42%
    Earthy 44.59%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.4 (weak base)

    Molecular weight
    184.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 21 °C

    Boiling point

    • 245.00 to 246.00 °C. @ 760.00 mm Hg

    Flash point

    • 96.26 ˚C est.

  • Synonyms

    • 2-Dodecanone
    • Dodecan-2-one
    • 6175-49-1
    • Decyl methyl ketone
    • METHYL DECYL KETONE
    • Dodecanone-(2)
    • MFCD00015064
    • UNII-P5CN8YSV3P
    • P5CN8YSV3P
    • EINECS 228-222-5
    • n-DECYL METHYL KETONE
    • AI3-28136
    • DTXSID4022236
    • CHEBI:89284
    • Dodecan2one
    • 2-Dodecanone, 95%
    • SCHEMBL103221
    • DTXCID902236
    • CHEMBL2228472
    • 2-Dodecanone, >=97.0% (GC)
    • LMFA12000163
    • AKOS009158766
    • NCGC00166062-01
    • AS-14475
    • 2-Dodecanone, analytical reference material
    • CS-0314654
    • D1862
    • NS00022516
    • D89937
    • A833406
    • Q27161470

  • Applications

    2-Dodecanone (CAS 6175-49-1) is used primarily as a fragrance intermediate and odorant in perfumery, contributing mid- to high-volatility notes to fragrance accords. It also functions as a solvent and processing aid in cosmetics, personal care, and household products, facilitating formulation and solubilization of active ingredients. In industrial manufacturing, it is commonly employed as an organic intermediate and as a reaction solvent for preparing longer-chain ketones, esters, and other specialty chemicals. It finds use as a processing solvent in coatings, inks, and adhesives, and can serve as a raw material in polymer and plastics formulations, with utility as a building block for fragrance actives in future transformations. Its use is subject to local regulations and formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4671.29
    methanol 3364.55
    isopropanol 5368.71
    water 0.03
    ethyl acetate 5249.07
    n-propanol 4554.35
    acetone 6898.36
    n-butanol 4324.89
    acetonitrile 3066.19
    DMF 2670.66
    toluene 1804.34
    isobutanol 3482.5
    1,4-dioxane 5456.61
    methyl acetate 3090.86
    THF 8417.07
    2-butanone 5307.67
    n-pentanol 3124.39
    sec-butanol 4587.78
    n-hexane 4613.44
    ethylene glycol 200.28
    NMP 2173.02
    cyclohexane 3786.81
    DMSO 3489.12
    n-butyl acetate 5060.85
    n-octanol 1378.88
    chloroform 7339.38
    n-propyl acetate 4086.98
    acetic acid 1435.45
    dichloromethane 6128.06
    cyclohexanone 6826.38
    propylene glycol 627.94
    isopropyl acetate 3692.85
    DMAc 1988.82
    2-ethoxyethanol 2498.17
    isopentanol 3980.65
    n-heptane 1767.37
    ethyl formate 1770.65
    1,2-dichloroethane 4523.92
    n-hexanol 3650.73
    2-methoxyethanol 3434.04
    isobutyl acetate 2208.36
    tetrachloromethane 1531.81
    n-pentyl acetate 2625.58
    transcutol 7855.13
    n-heptanol 1328.71
    ethylbenzene 1194.6
    MIBK 2883.57
    2-propoxyethanol 3641.74
    tert-butanol 6175.74
    MTBE 7245.63
    2-butoxyethanol 1882.85
    propionic acid 1866.21
    o-xylene 1071.46
    formic acid 193.28
    diethyl ether 8355.7
    m-xylene 1185.0
    p-xylene 1478.91
    chlorobenzene 2003.59
    dimethyl carbonate 410.83
    n-octane 461.04
    formamide 312.85
    cyclopentanone 4927.34
    2-pentanone 5286.15
    anisole 1679.22
    cyclopentyl methyl ether 5525.23
    gamma-butyrolactone 3681.71
    1-methoxy-2-propanol 3359.16
    pyridine 4262.34
    3-pentanone 3104.25
    furfural 2360.41
    n-dodecane 189.93
    diethylene glycol 1213.56
    diisopropyl ether 2426.97
    tert-amyl alcohol 4608.42
    acetylacetone 3124.62
    n-hexadecane 231.98
    acetophenone 1343.31
    methyl propionate 2558.32
    isopentyl acetate 4074.35
    trichloroethylene 5777.97
    n-nonanol 1168.64
    cyclohexanol 4460.39
    benzyl alcohol 1150.15
    2-ethylhexanol 2727.7
    isooctanol 1241.22
    dipropyl ether 5697.24
    1,2-dichlorobenzene 1690.77
    ethyl lactate 894.38
    propylene carbonate 2060.57
    n-methylformamide 1209.2
    2-pentanol 3699.71
    n-pentane 1885.68
    1-propoxy-2-propanol 3710.47
    1-methoxy-2-propyl acetate 2737.42
    2-(2-methoxypropoxy) propanol 1321.28
    mesitylene 829.53
    ε-caprolactone 4725.75
    p-cymene 787.32
    epichlorohydrin 4454.01
    1,1,1-trichloroethane 5006.8
    2-aminoethanol 823.38
    morpholine-4-carbaldehyde 2661.57
    sulfolane 3505.13
    2,2,4-trimethylpentane 500.19
    2-methyltetrahydrofuran 8324.31
    n-hexyl acetate 3141.61
    isooctane 434.43
    2-(2-butoxyethoxy)ethanol 2064.6
    sec-butyl acetate 2772.69
    tert-butyl acetate 3579.15
    decalin 1020.89
    glycerin 561.75
    diglyme 3780.12
    acrylic acid 903.36
    isopropyl myristate 990.01
    n-butyric acid 4258.0
    acetyl acetate 1788.14
    di(2-ethylhexyl) phthalate 584.75
    ethyl propionate 3068.21
    nitromethane 2294.65
    1,2-diethoxyethane 4992.28
    benzonitrile 1836.04
    trioctyl phosphate 501.15
    1-bromopropane 5452.69
    gamma-valerolactone 5032.15
    n-decanol 777.66
    triethyl phosphate 848.84
    4-methyl-2-pentanol 1778.87
    propionitrile 3561.4
    vinylene carbonate 1471.81
    1,1,2-trichlorotrifluoroethane 2522.35
    DMS 1194.26
    cumene 772.22
    2-octanol 1127.16
    2-hexanone 4291.21
    octyl acetate 1072.43
    limonene 1727.51
    1,2-dimethoxyethane 5706.35
    ethyl orthosilicate 992.74
    tributyl phosphate 731.92
    diacetone alcohol 2531.77
    N,N-dimethylaniline 1017.98
    acrylonitrile 2549.6
    aniline 1854.17
    1,3-propanediol 1566.17
    bromobenzene 2344.25
    dibromomethane 5419.73
    1,1,2,2-tetrachloroethane 5543.22
    2-methyl-cyclohexyl acetate 1770.95
    tetrabutyl urea 880.25
    diisobutyl methanol 1448.29
    2-phenylethanol 1305.7
    styrene 1583.11
    dioctyl adipate 1191.8
    dimethyl sulfate 579.35
    ethyl butyrate 3355.97
    methyl lactate 701.03
    butyl lactate 1431.46
    diethyl carbonate 1494.0
    propanediol butyl ether 1375.16
    triethyl orthoformate 2072.85
    p-tert-butyltoluene 765.17
    methyl 4-tert-butylbenzoate 1016.58
    morpholine 7840.01
    tert-butylamine 4680.69
    n-dodecanol 567.07
    dimethoxymethane 2199.09
    ethylene carbonate 1728.44
    cyrene 831.64
    2-ethoxyethyl acetate 2269.41
    2-ethylhexyl acetate 3223.11
    1,2,4-trichlorobenzene 1781.35
    4-methylpyridine 4047.57
    dibutyl ether 4245.71
    2,6-dimethyl-4-heptanol 1448.29
    DEF 4007.0
    dimethyl isosorbide 1920.98
    tetrachloroethylene 3608.68
    eugenol 892.62
    triacetin 1641.39
    span 80 1451.72
    1,4-butanediol 564.75
    1,1-dichloroethane 5890.69
    2-methyl-1-pentanol 2561.72
    methyl formate 664.8
    2-methyl-1-butanol 3393.57
    n-decane 464.94
    butyronitrile 4570.81
    3,7-dimethyl-1-octanol 1614.49
    1-chlorooctane 1437.71
    1-chlorotetradecane 429.13
    n-nonane 562.62
    undecane 278.04
    tert-butylcyclohexane 912.64
    cyclooctane 967.05
    cyclopentanol 3719.21
    tetrahydropyran 11233.52
    tert-amyl methyl ether 4327.86
    2,5,8-trioxanonane 2005.99
    1-hexene 7989.38
    2-isopropoxyethanol 2203.21
    2,2,2-trifluoroethanol 298.72
    methyl butyrate 4130.79

    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

Botanical

Name CAS Botanical Proportion
Orange leaf, sweet (North Africa) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.31%
Orange leaf, sweet (North Africa) 4 Citrus sinensis (L.) Osbeck, cultivar Washington navel, fam. Rutaceae 0.32%
Rue (Malaysia) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.92%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Rue (Malaysia) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 0.75%
Rue (Egypt) 8014-29-7 Ruta graveolens L., fam. Rutaceae 1.1%
Rue (Spain) 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.4%
Rosa rugosa (China) 2 Rosa rugosa Thunb., fam. Rosaceae 2.48%
Hop (China) 8007-04-3 Humulus lupulus L., fam. Cannabaceae 0.1%
Rue (China) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 1.76%
Ruta chalepensis (Turkey) Ruta chalepensis L., fam. Rutaceae 0.76%
Rose (China) 2 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.04%
Rue (Cuba) 8014-29-7 Ruta graveolens L., fam. Rutaceae 2.43%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.54%
Eupatorium capillifolium (Cuba) Eupatorium capillifolium (Lam.) Small, fam. Asteraceae (Compositae) 0.51%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.01%
Anthoxanthum odoratum (Italy) 1b hay Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.1%
Leea guineensis (Cameroon) 1b leaf Leea guineensis G. Don, fam. Leeaceae 0.9%
Ruta chalepensis (Iran) Ruta chalepensis L., fam. Rutaceae 0.5%
Croton zambesicus (Cameroon) 1a leaf Croton zambesicus Muell. Arg., fam. Euphorbiaceae 0.01%
Croton zambesicus (Cameroon) 1b root bark Croton zambesicus Muell. Arg., fam. Euphorbiaceae 0.3%