Cyclododecanone

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  • Identifiers

    CAS number
    830-13-7

    Molecular formula
    C12H22O

    SMILES
    C1CCCCCC(=O)CCCCC1

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Musk 87.79%
    Animal 69.18%
    Powdery 56.03%
    Amber 47.68%
    Dry 40.61%
    Woody 40.39%
    Natural 39.18%
    Clean 36.57%
    Floral 34.4%
    Sweet 32.65%

     

    Flavor
    Fruity 36.98%
    Minty 33.79%
    Animal 31.6%
    Camphor 24.76%
    Musk 22.81%
    Shrimp 21.71%
    Natural 20.73%
    Beet 20.2%
    Soil 19.94%
    Alkaline 19.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    9.41 (weak base)

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    274°C

    Melting point expt.

    • 59 °C

    Flash point

    • 100.72 ˚C est.

  • Synonyms

    • CYCLODODECANONE
    • 830-13-7
    • MFCD00003722
    • NSC 77116
    • DTXSID3027322
    • UNII-WL053118A9
    • HSDB 5762
    • EINECS 212-595-6
    • NSC-77116
    • WL053118A9
    • CYCLODODECANONE [HSDB]
    • DTXCID707322
    • EC 212-595-6
    • cyclododecan-1-one
    • CAS-830-13-7
    • Cyclododecanone (CDON)
    • cyclododecanon
    • NSC77116
    • CDON
    • 1-CYCLODODECANONE
    • Cyclododecanone, >=99%
    • SCHEMBL190509
    • CHEMBL1883853
    • CHEBI:177614
    • Tox21_201557
    • Tox21_303048
    • BBL019121
    • STK301634
    • AKOS000118913
    • CS-W017092
    • NCGC00163980-01
    • NCGC00163980-02
    • NCGC00256984-01
    • NCGC00259106-01
    • AS-10382
    • SY050015
    • DB-056676
    • NS00005390
    • EN300-19193
    • D97449
    • Q1147500
    • F0001-2129
    • Z104473098
    • 212-595-6

  • Applications

    Cyclododecanone (CAS 830-13-7) is a twelve-membered cyclic ketone primarily used as an intermediate in fragrance chemistry and as a building block for cyclododecyl derivatives used in perfumery. In fragrance and cosmetics, it often serves as an intermediate or fragrance ingredient. In household and cleaning products, it may be used as a matrix or additive related to scent. In polymers and plastics, it is explored as a precursor for specific monomers and functionalized materials. In coatings and inks, as well as adhesives, it can be employed as an intermediate or processing additive to support formulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 886.42
    methanol 643.38
    isopropanol 1123.35
    water 0.11
    ethyl acetate 1628.74
    n-propanol 1152.0
    acetone 1936.48
    n-butanol 923.07
    acetonitrile 1420.71
    DMF 2383.08
    toluene 1811.32
    isobutanol 903.32
    1,4-dioxane 2105.53
    methyl acetate 1394.23
    THF 3752.14
    2-butanone 1817.68
    n-pentanol 559.72
    sec-butanol 1030.15
    n-hexane 480.99
    ethylene glycol 142.89
    NMP 2444.52
    cyclohexane 1026.92
    DMSO 2393.94
    n-butyl acetate 1521.67
    n-octanol 572.18
    chloroform 6281.03
    n-propyl acetate 1247.21
    acetic acid 937.49
    dichloromethane 5291.59
    cyclohexanone 3468.62
    propylene glycol 342.72
    isopropyl acetate 1125.81
    DMAc 1339.17
    2-ethoxyethanol 604.62
    isopentanol 802.42
    n-heptane 448.39
    ethyl formate 1155.79
    1,2-dichloroethane 2906.23
    n-hexanol 721.25
    2-methoxyethanol 1142.39
    isobutyl acetate 778.55
    tetrachloromethane 1230.95
    n-pentyl acetate 1259.49
    transcutol 2322.97
    n-heptanol 476.91
    ethylbenzene 777.49
    MIBK 933.21
    2-propoxyethanol 881.52
    tert-butanol 1099.84
    MTBE 1026.45
    2-butoxyethanol 744.5
    propionic acid 1332.12
    o-xylene 865.4
    formic acid 165.27
    diethyl ether 1235.57
    m-xylene 923.24
    p-xylene 948.6
    chlorobenzene 2373.94
    dimethyl carbonate 535.51
    n-octane 170.54
    formamide 364.67
    cyclopentanone 4226.31
    2-pentanone 1618.39
    anisole 1094.45
    cyclopentyl methyl ether 2024.81
    gamma-butyrolactone 4344.65
    1-methoxy-2-propanol 1055.27
    pyridine 3416.64
    3-pentanone 1343.38
    furfural 3125.39
    n-dodecane 99.18
    diethylene glycol 477.52
    diisopropyl ether 489.88
    tert-amyl alcohol 919.82
    acetylacetone 1664.05
    n-hexadecane 118.5
    acetophenone 1130.93
    methyl propionate 1301.66
    isopentyl acetate 1206.02
    trichloroethylene 5835.07
    n-nonanol 484.28
    cyclohexanol 1513.48
    benzyl alcohol 805.45
    2-ethylhexanol 578.9
    isooctanol 426.23
    dipropyl ether 1167.58
    1,2-dichlorobenzene 2043.49
    ethyl lactate 464.97
    propylene carbonate 2511.45
    n-methylformamide 1175.27
    2-pentanol 788.2
    n-pentane 391.26
    1-propoxy-2-propanol 943.26
    1-methoxy-2-propyl acetate 1017.32
    2-(2-methoxypropoxy) propanol 564.48
    mesitylene 572.22
    ε-caprolactone 2645.79
    p-cymene 502.91
    epichlorohydrin 3420.8
    1,1,1-trichloroethane 3188.56
    2-aminoethanol 416.39
    morpholine-4-carbaldehyde 1909.94
    sulfolane 4438.59
    2,2,4-trimethylpentane 133.46
    2-methyltetrahydrofuran 2726.45
    n-hexyl acetate 1459.55
    isooctane 115.76
    2-(2-butoxyethoxy)ethanol 869.19
    sec-butyl acetate 814.22
    tert-butyl acetate 1051.58
    decalin 333.07
    glycerin 408.17
    diglyme 1745.08
    acrylic acid 1099.45
    isopropyl myristate 528.78
    n-butyric acid 1831.07
    acetyl acetate 1035.93
    di(2-ethylhexyl) phthalate 391.65
    ethyl propionate 1074.18
    nitromethane 1730.88
    1,2-diethoxyethane 1182.6
    benzonitrile 1694.11
    trioctyl phosphate 330.36
    1-bromopropane 1974.87
    gamma-valerolactone 3480.14
    n-decanol 334.73
    triethyl phosphate 469.25
    4-methyl-2-pentanol 423.15
    propionitrile 1552.28
    vinylene carbonate 2122.37
    1,1,2-trichlorotrifluoroethane 2006.63
    DMS 894.94
    cumene 463.71
    2-octanol 440.0
    2-hexanone 1132.86
    octyl acetate 643.29
    limonene 776.16
    1,2-dimethoxyethane 1431.23
    ethyl orthosilicate 447.49
    tributyl phosphate 426.31
    diacetone alcohol 920.39
    N,N-dimethylaniline 677.08
    acrylonitrile 1816.63
    aniline 1553.92
    1,3-propanediol 638.83
    bromobenzene 2828.56
    dibromomethane 3806.09
    1,1,2,2-tetrachloroethane 4596.71
    2-methyl-cyclohexyl acetate 779.55
    tetrabutyl urea 552.51
    diisobutyl methanol 443.39
    2-phenylethanol 692.98
    styrene 1116.94
    dioctyl adipate 720.48
    dimethyl sulfate 868.41
    ethyl butyrate 1178.11
    methyl lactate 589.83
    butyl lactate 798.76
    diethyl carbonate 723.64
    propanediol butyl ether 717.38
    triethyl orthoformate 793.39
    p-tert-butyltoluene 460.81
    methyl 4-tert-butylbenzoate 848.32
    morpholine 2378.38
    tert-butylamine 845.93
    n-dodecanol 250.51
    dimethoxymethane 1136.7
    ethylene carbonate 1930.95
    cyrene 606.97
    2-ethoxyethyl acetate 1096.47
    2-ethylhexyl acetate 980.74
    1,2,4-trichlorobenzene 2207.53
    4-methylpyridine 2878.31
    dibutyl ether 1133.46
    2,6-dimethyl-4-heptanol 443.39
    DEF 1623.6
    dimethyl isosorbide 1153.05
    tetrachloroethylene 3053.67
    eugenol 659.14
    triacetin 1101.8
    span 80 718.91
    1,4-butanediol 240.87
    1,1-dichloroethane 3249.41
    2-methyl-1-pentanol 489.17
    methyl formate 912.51
    2-methyl-1-butanol 763.65
    n-decane 190.5
    butyronitrile 1519.14
    3,7-dimethyl-1-octanol 563.9
    1-chlorooctane 698.02
    1-chlorotetradecane 237.51
    n-nonane 219.56
    undecane 131.19
    tert-butylcyclohexane 246.16
    cyclooctane 358.9
    cyclopentanol 1828.37
    tetrahydropyran 2847.23
    tert-amyl methyl ether 817.17
    2,5,8-trioxanonane 989.24
    1-hexene 973.04
    2-isopropoxyethanol 502.9
    2,2,2-trifluoroethanol 410.86
    methyl butyrate 1591.27

    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