2-Methylcyclododecanone

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  • Identifiers

    CAS number
    16837-94-8

    Molecular formula
    C13H24O

    SMILES
    CC1CCCCCCCCCCC1=O

    Safety labels

  • Odor profile

    Fragrance
    Musk 72.23%
    Animal 59.84%
    Mint 46.64%
    Woody 46.06%
    Amber 41.76%
    Powdery 41.15%
    Natural 40.21%
    Camphoreous 37.09%
    Dry 36.0%
    Tobacco 34.78%

     

    Flavor
    Fruity 39.72%
    Minty 36.75%
    Animal 26.48%
    Camphor 24.75%
    Musk 21.37%
    Beet 20.72%
    Shrimp 20.69%
    Soil 20.39%
    Cistus 19.84%
    Thujone 19.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    9.56 (weak base)

    Molecular weight
    196.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    280°C

    Flash point

    • 99.07 ˚C est.

  • Synonyms

    • 2-Methylcyclododecanone
    • 2-methylcyclododecan-1-one
    • 16837-94-8
    • Cyclododecanone, 2-methyl-
    • 2-Methyl-1-cyclododecanone
    • DTXSID50337570
    • RefChem:88292
    • DTXCID90288658
    • JJUNXABENLJLAY-UHFFFAOYSA-N
    • 2-Methylcyclododecane-1-one
    • 2-Methyl-Cyclododecanone
    • 2-methyl-cyclododecan-1-one
    • SCHEMBL2346756
    • CHEBI:156176
    • BB_NC-00151
    • STL373780
    • AKOS030490592
    • 16837-94-8

  • Applications

    2-Methylcyclododecanone (CAS 16837-94-8) is primarily used as a fragrance ingredient and precursor in fragrance chemistry, acting as an odorant or building block for aromatic compounds. It is also employed as a chemical intermediate in industrial manufacturing and materials development. Practical applications include serving as a precursor for polymers/plastics, as an ingredient in coatings and inks, and as an adhesive additive with a fragrance role; it is considered for cosmetics/personal care and household products as a fragrance component; and it is investigated as an intermediate in the production of specialty materials, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2081.48
    methanol 1276.34
    isopropanol 2519.64
    water 0.12
    ethyl acetate 3376.39
    n-propanol 2316.07
    acetone 4017.34
    n-butanol 1960.95
    acetonitrile 3324.78
    DMF 3425.26
    toluene 2940.94
    isobutanol 1761.74
    1,4-dioxane 3818.75
    methyl acetate 2616.09
    THF 5328.85
    2-butanone 3376.61
    n-pentanol 1158.46
    sec-butanol 1991.07
    n-hexane 782.04
    ethylene glycol 158.08
    NMP 2858.58
    cyclohexane 1512.58
    DMSO 2720.36
    n-butyl acetate 3553.34
    n-octanol 1031.44
    chloroform 9703.62
    n-propyl acetate 2508.26
    acetic acid 1465.34
    dichloromethane 8060.18
    cyclohexanone 5826.02
    propylene glycol 400.19
    isopropyl acetate 2407.67
    DMAc 1920.74
    2-ethoxyethanol 1073.53
    isopentanol 1772.8
    n-heptane 643.53
    ethyl formate 2141.34
    1,2-dichloroethane 4459.64
    n-hexanol 1597.84
    2-methoxyethanol 1821.56
    isobutyl acetate 1482.31
    tetrachloromethane 1870.28
    n-pentyl acetate 2420.48
    transcutol 4512.08
    n-heptanol 919.03
    ethylbenzene 1403.05
    MIBK 1883.76
    2-propoxyethanol 1714.92
    tert-butanol 2360.98
    MTBE 2664.21
    2-butoxyethanol 1419.19
    propionic acid 1919.22
    o-xylene 1418.16
    formic acid 218.41
    diethyl ether 2958.51
    m-xylene 1552.93
    p-xylene 1625.42
    chlorobenzene 3904.19
    dimethyl carbonate 775.53
    n-octane 259.34
    formamide 470.83
    cyclopentanone 5726.4
    2-pentanone 3110.59
    anisole 1953.58
    cyclopentyl methyl ether 2953.91
    gamma-butyrolactone 5508.86
    1-methoxy-2-propanol 1663.36
    pyridine 5829.9
    3-pentanone 2213.1
    furfural 4232.99
    n-dodecane 147.19
    diethylene glycol 766.62
    diisopropyl ether 1014.38
    tert-amyl alcohol 1884.87
    acetylacetone 2765.51
    n-hexadecane 176.16
    acetophenone 1830.33
    methyl propionate 2112.03
    isopentyl acetate 2709.23
    trichloroethylene 8892.07
    n-nonanol 843.11
    cyclohexanol 2688.85
    benzyl alcohol 1414.95
    2-ethylhexanol 1198.65
    isooctanol 831.69
    dipropyl ether 2078.07
    1,2-dichlorobenzene 3111.04
    ethyl lactate 705.04
    propylene carbonate 3432.34
    n-methylformamide 1712.1
    2-pentanol 1653.91
    n-pentane 668.17
    1-propoxy-2-propanol 1805.12
    1-methoxy-2-propyl acetate 1938.82
    2-(2-methoxypropoxy) propanol 979.28
    mesitylene 990.39
    ε-caprolactone 4423.7
    p-cymene 869.53
    epichlorohydrin 5147.9
    1,1,1-trichloroethane 5256.92
    2-aminoethanol 554.85
    morpholine-4-carbaldehyde 2719.73
    sulfolane 4711.24
    2,2,4-trimethylpentane 237.31
    2-methyltetrahydrofuran 4256.67
    n-hexyl acetate 2543.65
    isooctane 231.66
    2-(2-butoxyethoxy)ethanol 1479.58
    sec-butyl acetate 1644.57
    tert-butyl acetate 2077.16
    decalin 484.27
    glycerin 449.98
    diglyme 2995.66
    acrylic acid 1368.35
    isopropyl myristate 890.67
    n-butyric acid 3327.83
    acetyl acetate 1858.7
    di(2-ethylhexyl) phthalate 624.34
    ethyl propionate 1919.99
    nitromethane 2779.88
    1,2-diethoxyethane 2502.83
    benzonitrile 3173.38
    trioctyl phosphate 510.46
    1-bromopropane 3306.44
    gamma-valerolactone 5390.44
    n-decanol 572.42
    triethyl phosphate 704.5
    4-methyl-2-pentanol 905.35
    propionitrile 3232.47
    vinylene carbonate 2995.19
    1,1,2-trichlorotrifluoroethane 2652.97
    DMS 1360.11
    cumene 805.27
    2-octanol 838.33
    2-hexanone 2171.62
    octyl acetate 1048.16
    limonene 1310.3
    1,2-dimethoxyethane 2688.67
    ethyl orthosilicate 676.34
    tributyl phosphate 671.71
    diacetone alcohol 1582.1
    N,N-dimethylaniline 1127.54
    acrylonitrile 3222.92
    aniline 2578.37
    1,3-propanediol 1055.22
    bromobenzene 4589.15
    dibromomethane 5828.19
    1,1,2,2-tetrachloroethane 6676.95
    2-methyl-cyclohexyl acetate 1242.05
    tetrabutyl urea 797.49
    diisobutyl methanol 838.66
    2-phenylethanol 1307.97
    styrene 1997.67
    dioctyl adipate 1119.06
    dimethyl sulfate 1061.38
    ethyl butyrate 2222.71
    methyl lactate 770.56
    butyl lactate 1325.07
    diethyl carbonate 1251.17
    propanediol butyl ether 1136.69
    triethyl orthoformate 1340.36
    p-tert-butyltoluene 779.34
    methyl 4-tert-butylbenzoate 1306.96
    morpholine 4189.26
    tert-butylamine 1828.76
    n-dodecanol 417.09
    dimethoxymethane 1758.2
    ethylene carbonate 2875.76
    cyrene 821.07
    2-ethoxyethyl acetate 2089.75
    2-ethylhexyl acetate 2085.73
    1,2,4-trichlorobenzene 3284.3
    4-methylpyridine 5406.72
    dibutyl ether 2019.26
    2,6-dimethyl-4-heptanol 838.66
    DEF 2834.59
    dimethyl isosorbide 1673.35
    tetrachloroethylene 4366.35
    eugenol 1051.51
    triacetin 1671.97
    span 80 1111.77
    1,4-butanediol 379.87
    1,1-dichloroethane 5622.53
    2-methyl-1-pentanol 1073.84
    methyl formate 1256.32
    2-methyl-1-butanol 1567.53
    n-decane 295.11
    butyronitrile 3514.97
    3,7-dimethyl-1-octanol 1047.34
    1-chlorooctane 1157.43
    1-chlorotetradecane 361.08
    n-nonane 333.41
    undecane 196.94
    tert-butylcyclohexane 390.67
    cyclooctane 491.69
    cyclopentanol 2508.86
    tetrahydropyran 5254.33
    tert-amyl methyl ether 1705.75
    2,5,8-trioxanonane 1558.18
    1-hexene 1914.06
    2-isopropoxyethanol 914.19
    2,2,2-trifluoroethanol 520.13
    methyl butyrate 2842.58

    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