2-Chlorocyclododecanone

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  • Identifiers

    CAS number
    35951-28-1

    Molecular formula
    C12H21ClO

    SMILES
    C1CCCCCC(=O)C(CCCC1)Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 53.29%
    Animal 50.26%
    Mint 48.49%
    Musk 45.7%
    Floral 45.13%
    Herbal 38.42%
    Natural 36.7%
    Camphoreous 35.26%
    Amber 34.72%
    Dry 31.86%

     

    Flavor
    Animal 31.21%
    Minty 29.34%
    Bitter 25.37%
    Shrimp 23.66%
    Alkaline 23.11%
    Spicy 23.0%
    Fruity 22.36%
    Beet 21.5%
    Soil 21.28%
    Ammoniacal 21.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    8.19 (weak base)

    Molecular weight
    216.75 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    293°C

    Flash point

    • 112.39 ˚C est.

  • Synonyms

    • 2-Chlorocyclododecanone
    • 35951-28-1
    • Cyclododecanone, 2-chloro-
    • DTXSID80340678
    • RefChem:86466
    • DTXCID00291759
    • 679-917-9
    • VDNDILHUSVTMNI-UHFFFAOYSA-N
    • 2-chlorocyclododecan-1-one
    • MFCD04117912
    • a-chlorocyclododecanone
    • 2-Chlorocyclododecanone #
    • 2-chloro-cyclododecan-1-one
    • SCHEMBL5163241
    • SY054697
    • C1650
    • CS-0365252
    • T70825
    • 951C281
    • 35951-28-1

  • Applications

    2-Chlorocyclododecanone (CAS 35951-28-1) is primarily viewed as an intermediate in the synthesis of macrocyclic fragrance compounds and can serve as a precursor to fragrance ingredients and fixatives used in perfumery. In cosmetics and personal care, it is leveraged indirectly as a building block for fragrance components in skin and hair care formulations. In industrial manufacturing, it provides a building-block role for selective derivatives and cyclododecyl-related compounds used in materials and specialty additives. Additionally, cyclododecane-derived derivatives may be explored for use in polymers/plastics and coatings/inks as functional or fragrance-related additives for surface applications. Any use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 743.45
    methanol 522.37
    isopropanol 847.62
    water 0.14
    ethyl acetate 1411.07
    n-propanol 869.22
    acetone 2324.78
    n-butanol 738.99
    acetonitrile 1154.17
    DMF 2357.25
    toluene 1696.53
    isobutanol 734.36
    1,4-dioxane 1951.7
    methyl acetate 1238.08
    THF 3206.19
    2-butanone 1793.41
    n-pentanol 507.52
    sec-butanol 773.71
    n-hexane 188.99
    ethylene glycol 124.13
    NMP 2295.58
    cyclohexane 595.33
    DMSO 2625.46
    n-butyl acetate 1329.42
    n-octanol 425.61
    chloroform 5501.36
    n-propyl acetate 1097.45
    acetic acid 943.54
    dichloromethane 4766.49
    cyclohexanone 3533.59
    propylene glycol 264.37
    isopropyl acetate 932.65
    DMAc 1316.88
    2-ethoxyethanol 628.49
    isopentanol 703.04
    n-heptane 190.36
    ethyl formate 1059.22
    1,2-dichloroethane 2909.87
    n-hexanol 575.73
    2-methoxyethanol 977.25
    isobutyl acetate 681.89
    tetrachloromethane 998.46
    n-pentyl acetate 1104.84
    transcutol 2696.06
    n-heptanol 379.82
    ethylbenzene 717.66
    MIBK 875.8
    2-propoxyethanol 791.71
    tert-butanol 876.49
    MTBE 865.2
    2-butoxyethanol 698.24
    propionic acid 987.76
    o-xylene 831.9
    formic acid 175.76
    diethyl ether 969.12
    m-xylene 893.0
    p-xylene 855.3
    chlorobenzene 2298.8
    dimethyl carbonate 468.05
    n-octane 78.71
    formamide 392.36
    cyclopentanone 3924.03
    2-pentanone 1540.87
    anisole 1023.99
    cyclopentyl methyl ether 1641.52
    gamma-butyrolactone 3617.9
    1-methoxy-2-propanol 864.28
    pyridine 3346.37
    3-pentanone 1132.94
    furfural 3040.72
    n-dodecane 49.83
    diethylene glycol 495.23
    diisopropyl ether 358.07
    tert-amyl alcohol 714.79
    acetylacetone 1647.06
    n-hexadecane 61.57
    acetophenone 1179.01
    methyl propionate 1065.3
    isopentyl acetate 1055.15
    trichloroethylene 6151.22
    n-nonanol 351.62
    cyclohexanol 1321.03
    benzyl alcohol 879.1
    2-ethylhexanol 457.3
    isooctanol 347.19
    dipropyl ether 766.88
    1,2-dichlorobenzene 1894.04
    ethyl lactate 394.63
    propylene carbonate 2053.73
    n-methylformamide 1144.5
    2-pentanol 605.12
    n-pentane 179.17
    1-propoxy-2-propanol 782.71
    1-methoxy-2-propyl acetate 909.51
    2-(2-methoxypropoxy) propanol 506.14
    mesitylene 541.49
    ε-caprolactone 2433.11
    p-cymene 427.2
    epichlorohydrin 3364.93
    1,1,1-trichloroethane 2941.64
    2-aminoethanol 341.98
    morpholine-4-carbaldehyde 1834.99
    sulfolane 3744.11
    2,2,4-trimethylpentane 86.65
    2-methyltetrahydrofuran 2420.75
    n-hexyl acetate 1206.47
    isooctane 67.55
    2-(2-butoxyethoxy)ethanol 771.62
    sec-butyl acetate 703.62
    tert-butyl acetate 900.87
    decalin 192.27
    glycerin 344.34
    diglyme 1733.52
    acrylic acid 899.8
    isopropyl myristate 399.64
    n-butyric acid 1424.9
    acetyl acetate 893.44
    di(2-ethylhexyl) phthalate 336.72
    ethyl propionate 849.78
    nitromethane 1774.91
    1,2-diethoxyethane 1160.75
    benzonitrile 1739.57
    trioctyl phosphate 259.87
    1-bromopropane 1582.92
    gamma-valerolactone 3454.46
    n-decanol 241.33
    triethyl phosphate 372.55
    4-methyl-2-pentanol 343.51
    propionitrile 1121.07
    vinylene carbonate 1867.4
    1,1,2-trichlorotrifluoroethane 1843.0
    DMS 779.77
    cumene 401.14
    2-octanol 347.09
    2-hexanone 1058.99
    octyl acetate 500.22
    limonene 621.48
    1,2-dimethoxyethane 1362.31
    ethyl orthosilicate 358.9
    tributyl phosphate 329.62
    diacetone alcohol 850.22
    N,N-dimethylaniline 634.07
    acrylonitrile 1525.81
    aniline 1458.29
    1,3-propanediol 541.64
    bromobenzene 2686.14
    dibromomethane 3318.93
    1,1,2,2-tetrachloroethane 4531.7
    2-methyl-cyclohexyl acetate 635.95
    tetrabutyl urea 438.32
    diisobutyl methanol 335.12
    2-phenylethanol 711.34
    styrene 1024.57
    dioctyl adipate 569.62
    dimethyl sulfate 789.61
    ethyl butyrate 904.54
    methyl lactate 460.05
    butyl lactate 679.74
    diethyl carbonate 564.29
    propanediol butyl ether 668.96
    triethyl orthoformate 602.0
    p-tert-butyltoluene 394.17
    methyl 4-tert-butylbenzoate 761.56
    morpholine 2208.12
    tert-butylamine 600.06
    n-dodecanol 180.04
    dimethoxymethane 1058.85
    ethylene carbonate 1618.21
    cyrene 594.72
    2-ethoxyethyl acetate 1106.83
    2-ethylhexyl acetate 870.41
    1,2,4-trichlorobenzene 2160.32
    4-methylpyridine 3087.2
    dibutyl ether 786.17
    2,6-dimethyl-4-heptanol 335.12
    DEF 1432.37
    dimethyl isosorbide 1040.13
    tetrachloroethylene 3025.65
    eugenol 661.33
    triacetin 960.5
    span 80 581.57
    1,4-butanediol 252.34
    1,1-dichloroethane 2907.89
    2-methyl-1-pentanol 478.94
    methyl formate 925.29
    2-methyl-1-butanol 655.85
    n-decane 98.39
    butyronitrile 1254.37
    3,7-dimethyl-1-octanol 401.83
    1-chlorooctane 466.47
    1-chlorotetradecane 150.63
    n-nonane 104.72
    undecane 66.17
    tert-butylcyclohexane 140.47
    cyclooctane 179.78
    cyclopentanol 1438.99
    tetrahydropyran 2500.6
    tert-amyl methyl ether 632.01
    2,5,8-trioxanonane 927.85
    1-hexene 576.93
    2-isopropoxyethanol 497.19
    2,2,2-trifluoroethanol 389.24
    methyl butyrate 1280.14

    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