Cyclododecanol, 1-acetate

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  • Identifiers

    CAS number
    6221-92-7

    Molecular formula
    C14H26O2

    SMILES
    CC(=O)OC1CCCCCCCCCCC1

  • Odor profile

    Fruity 84.81%
    Woody 71.63%
    Waxy 50.84%
    Floral 50.04%
    Sweet 48.82%
    Green 47.31%
    Fatty 47.13%
    Musk 42.27%
    Fresh 36.94%
    Pear 36.39%

    Scent© AI

  • Properties

    XLogP3-AA
    5.2

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    298°C

    Flash point est.
    118.08 ˚C

  • Synonyms

    • Cyclododecyl acetate
    • 6221-92-7
    • Cyclododecanol, acetate
    • Cyclododecanol, 1-acetate
    • EINECS 228-297-4
    • DTXSID60863714
    • SCHEMBL5167284
    • DTXCID90812295
    • NS00012151

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 702.98
    methanol 561.48
    isopropanol 930.53
    water 0.05
    ethyl acetate 1882.67
    n-propanol 906.98
    acetone 2304.15
    n-butanol 802.99
    acetonitrile 1108.38
    DMF 2570.22
    toluene 1685.07
    isobutanol 830.25
    1,4-dioxane 2099.94
    methyl acetate 1438.02
    THF 4348.46
    2-butanone 1914.09
    n-pentanol 550.34
    sec-butanol 914.09
    n-hexane 547.89
    ethylene glycol 93.54
    NMP 3017.51
    cyclohexane 1113.39
    DMSO 2698.57
    n-butyl acetate 1523.95
    n-octanol 465.71
    chloroform 6381.91
    n-propyl acetate 1375.85
    acetic acid 825.64
    dichloromethane 5447.76
    cyclohexanone 4053.03
    propylene glycol 260.37
    isopropyl acetate 1435.0
    DMAc 1912.25
    2-ethoxyethanol 647.17
    isopentanol 805.12
    n-heptane 332.63
    ethyl formate 936.44
    1,2-dichloroethane 3448.33
    n-hexanol 684.17
    2-methoxyethanol 1009.69
    isobutyl acetate 928.91
    tetrachloromethane 1145.51
    n-pentyl acetate 1353.27
    transcutol 2360.69
    n-heptanol 396.11
    ethylbenzene 776.18
    MIBK 1187.34
    2-propoxyethanol 902.66
    tert-butanol 1163.7
    MTBE 1545.11
    2-butoxyethanol 676.38
    propionic acid 1070.54
    o-xylene 895.86
    formic acid 139.07
    diethyl ether 1388.79
    m-xylene 990.6
    p-xylene 1030.5
    chlorobenzene 2158.68
    dimethyl carbonate 615.49
    n-octane 135.88
    formamide 286.46
    cyclopentanone 4539.77
    2-pentanone 1792.35
    anisole 1147.08
    cyclopentyl methyl ether 2566.35
    gamma-butyrolactone 4445.42
    1-methoxy-2-propanol 1025.64
    pyridine 2956.8
    3-pentanone 1501.45
    furfural 2772.95
    n-dodecane 83.22
    diethylene glycol 443.69
    diisopropyl ether 625.28
    tert-amyl alcohol 1038.86
    acetylacetone 2052.31
    n-hexadecane 101.81
    acetophenone 1152.6
    methyl propionate 1447.5
    isopentyl acetate 1350.99
    trichloroethylene 5885.38
    n-nonanol 418.86
    cyclohexanol 1551.32
    benzyl alcohol 772.75
    2-ethylhexanol 569.21
    isooctanol 387.5
    dipropyl ether 1054.75
    1,2-dichlorobenzene 1896.3
    ethyl lactate 474.35
    propylene carbonate 2384.6
    n-methylformamide 1004.88
    2-pentanol 748.97
    n-pentane 371.87
    1-propoxy-2-propanol 893.6
    1-methoxy-2-propyl acetate 1195.61
    2-(2-methoxypropoxy) propanol 621.93
    mesitylene 662.37
    ε-caprolactone 2902.6
    p-cymene 446.34
    epichlorohydrin 3787.05
    1,1,1-trichloroethane 3777.3
    2-aminoethanol 304.19
    morpholine-4-carbaldehyde 2058.25
    sulfolane 5203.69
    2,2,4-trimethylpentane 167.53
    2-methyltetrahydrofuran 3266.33
    n-hexyl acetate 1533.83
    isooctane 132.55
    2-(2-butoxyethoxy)ethanol 897.69
    sec-butyl acetate 987.68
    tert-butyl acetate 1436.26
    decalin 386.44
    glycerin 314.04
    diglyme 1703.65
    acrylic acid 823.09
    isopropyl myristate 574.51
    n-butyric acid 1664.92
    acetyl acetate 1270.85
    di(2-ethylhexyl) phthalate 434.78
    ethyl propionate 1211.5
    nitromethane 1696.34
    1,2-diethoxyethane 1305.78
    benzonitrile 1409.19
    trioctyl phosphate 339.92
    1-bromopropane 2231.57
    gamma-valerolactone 3690.59
    n-decanol 296.72
    triethyl phosphate 513.11
    4-methyl-2-pentanol 449.75
    propionitrile 1239.65
    vinylene carbonate 1840.7
    1,1,2-trichlorotrifluoroethane 2058.55
    DMS 1047.04
    cumene 485.95
    2-octanol 397.59
    2-hexanone 1271.67
    octyl acetate 684.29
    limonene 753.41
    1,2-dimethoxyethane 1510.26
    ethyl orthosilicate 477.73
    tributyl phosphate 461.51
    diacetone alcohol 1100.56
    N,N-dimethylaniline 744.74
    acrylonitrile 1414.74
    aniline 1371.87
    1,3-propanediol 493.74
    bromobenzene 2772.2
    dibromomethane 3962.84
    1,1,2,2-tetrachloroethane 5179.07
    2-methyl-cyclohexyl acetate 874.81
    tetrabutyl urea 577.14
    diisobutyl methanol 401.13
    2-phenylethanol 684.27
    styrene 1039.85
    dioctyl adipate 810.27
    dimethyl sulfate 1116.96
    ethyl butyrate 1097.97
    methyl lactate 588.09
    butyl lactate 792.07
    diethyl carbonate 693.36
    propanediol butyl ether 663.09
    triethyl orthoformate 762.64
    p-tert-butyltoluene 441.65
    methyl 4-tert-butylbenzoate 895.49
    morpholine 2425.45
    tert-butylamine 874.48
    n-dodecanol 225.2
    dimethoxymethane 1298.28
    ethylene carbonate 1709.94
    cyrene 663.48
    2-ethoxyethyl acetate 1241.91
    2-ethylhexyl acetate 1124.47
    1,2,4-trichlorobenzene 2117.04
    4-methylpyridine 2719.67
    dibutyl ether 1054.5
    2,6-dimethyl-4-heptanol 401.13
    DEF 1854.64
    dimethyl isosorbide 1272.97
    tetrachloroethylene 3190.99
    eugenol 674.8
    triacetin 1216.43
    span 80 745.38
    1,4-butanediol 209.78
    1,1-dichloroethane 3682.09
    2-methyl-1-pentanol 557.8
    methyl formate 765.84
    2-methyl-1-butanol 800.1
    n-decane 162.5
    butyronitrile 1331.33
    3,7-dimethyl-1-octanol 510.5
    1-chlorooctane 636.66
    1-chlorotetradecane 226.28
    n-nonane 171.81
    undecane 109.91
    tert-butylcyclohexane 292.43
    cyclooctane 369.54
    cyclopentanol 1716.98
    tetrahydropyran 3112.23
    tert-amyl methyl ether 1194.14
    2,5,8-trioxanonane 1018.53
    1-hexene 1105.15
    2-isopropoxyethanol 572.21
    2,2,2-trifluoroethanol 361.34
    methyl butyrate 1689.52

    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