Cyclohexylmethylcarbinyl acetate

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  • Identifiers

    CAS number
    13487-27-9

    Molecular formula
    C10H18O2

    SMILES
    CC(C1CCCCC1)OC(=O)C

  • Odor profile

    Fragrance
    Fruity 91.92%
    Floral 57.04%
    Green 48.73%
    Sweet 46.92%
    Herbal 42.23%
    Woody 40.4%
    Fresh 39.97%
    Apple 39.14%
    Banana 34.28%
    Berry 31.73%

     

    Flavor
    Fruity 68.78%
    Herbal 51.2%
    Sweet 48.32%
    Fruit 43.57%
    Green 41.81%
    Tropical 41.6%
    Rose 35.75%
    Mint 33.26%
    Herb 32.57%
    Raspberry 30.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.29 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    207°C

    Flash point

    • 84.32 ˚C est.

  • Synonyms

    • 1-cyclohexylethyl acetate
    • 13487-27-9
    • Cyclohexylmethylcarbinyl acetate
    • alpha-Methylcyclohexylmethyl acetate
    • 07O60RIB6R
    • Cyclohexanemethanol, .alpha.-methyl-, acetate
    • EINECS 236-798-4
    • Cyclohexanemethanol, alpha-methyl-, acetate
    • DTXSID7051688
    • Cyclohexanemethanol, alpha-methyl-, 1-acetate
    • Cyclohexanemethanol, .alpha.-methyl-, 1-acetate
    • UNII-07O60RIB6R
    • SCHEMBL873507
    • 1-cyclohexylethan-1-yl acetate
    • DTXCID0030243
    • (r,s)-1-cyclohexylethyl acetate
    • cyclohexyl methyl carbinyl acetate
    • NS00012870
    • Q27236317

  • Applications

    Cyclohexylmethylcarbinyl acetate (CAS 13487-27-9) is primarily used as an intermediate in organic synthesis and, in fragrance chemistry, as a fragrance ingredient and odorant with potential fixative properties, a use area relevant to cosmetics and personal care. It may also function as a solvent or processing aid in specialty coatings, inks, and cleaning formulations, and can serve as a plasticizer component or processing additive in compatible polymer formulations. Additionally, it is encountered as a chemical building block for the preparation of more complex specialty chemicals and formulation components, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1873.27
    methanol 2401.17
    isopropanol 1836.68
    water 0.77
    ethyl acetate 1179.56
    n-propanol 1548.24
    acetone 1861.85
    n-butanol 1270.53
    acetonitrile 1649.32
    DMF 1543.92
    toluene 726.43
    isobutanol 1170.85
    1,4-dioxane 2019.84
    methyl acetate 1007.52
    THF 2596.17
    2-butanone 1248.28
    n-pentanol 774.35
    sec-butanol 1298.69
    n-hexane 243.42
    ethylene glycol 245.26
    NMP 1376.97
    cyclohexane 382.82
    DMSO 1650.74
    n-butyl acetate 896.77
    n-octanol 347.76
    chloroform 4740.0
    n-propyl acetate 571.51
    acetic acid 1201.48
    dichloromethane 3331.04
    cyclohexanone 2004.06
    propylene glycol 448.43
    isopropyl acetate 727.23
    DMAc 920.33
    2-ethoxyethanol 614.49
    isopentanol 1069.5
    n-heptane 85.43
    ethyl formate 739.23
    1,2-dichloroethane 1702.03
    n-hexanol 931.58
    2-methoxyethanol 1217.38
    isobutyl acetate 384.2
    tetrachloromethane 598.38
    n-pentyl acetate 507.56
    transcutol 2110.61
    n-heptanol 310.39
    ethylbenzene 323.82
    MIBK 590.05
    2-propoxyethanol 1028.57
    tert-butanol 1755.6
    MTBE 1303.88
    2-butoxyethanol 474.52
    propionic acid 1092.21
    o-xylene 400.34
    formic acid 312.63
    diethyl ether 1245.07
    m-xylene 461.96
    p-xylene 419.54
    chlorobenzene 1105.24
    dimethyl carbonate 240.21
    n-octane 37.6
    formamide 401.57
    cyclopentanone 1952.92
    2-pentanone 1015.09
    anisole 545.8
    cyclopentyl methyl ether 1184.78
    gamma-butyrolactone 2039.58
    1-methoxy-2-propanol 1002.44
    pyridine 1661.53
    3-pentanone 681.02
    furfural 1406.04
    n-dodecane 31.21
    diethylene glycol 625.0
    diisopropyl ether 329.58
    tert-amyl alcohol 1183.35
    acetylacetone 923.86
    n-hexadecane 37.01
    acetophenone 463.18
    methyl propionate 751.29
    isopentyl acetate 729.93
    trichloroethylene 3073.17
    n-nonanol 284.45
    cyclohexanol 1332.02
    benzyl alcohol 481.61
    2-ethylhexanol 435.72
    isooctanol 256.94
    dipropyl ether 468.11
    1,2-dichlorobenzene 832.44
    ethyl lactate 240.05
    propylene carbonate 1063.66
    n-methylformamide 885.61
    2-pentanol 854.72
    n-pentane 192.46
    1-propoxy-2-propanol 743.62
    1-methoxy-2-propyl acetate 645.75
    2-(2-methoxypropoxy) propanol 457.64
    mesitylene 281.1
    ε-caprolactone 1535.11
    p-cymene 187.28
    epichlorohydrin 2021.34
    1,1,1-trichloroethane 1898.71
    2-aminoethanol 607.79
    morpholine-4-carbaldehyde 1243.17
    sulfolane 1964.35
    2,2,4-trimethylpentane 78.51
    2-methyltetrahydrofuran 1942.16
    n-hexyl acetate 698.5
    isooctane 61.11
    2-(2-butoxyethoxy)ethanol 652.48
    sec-butyl acetate 408.19
    tert-butyl acetate 682.74
    decalin 125.37
    glycerin 468.68
    diglyme 1046.46
    acrylic acid 788.53
    isopropyl myristate 241.6
    n-butyric acid 1474.65
    acetyl acetate 658.28
    di(2-ethylhexyl) phthalate 234.73
    ethyl propionate 475.39
    nitromethane 1462.94
    1,2-diethoxyethane 764.46
    benzonitrile 887.1
    trioctyl phosphate 172.8
    1-bromopropane 1345.93
    gamma-valerolactone 1954.89
    n-decanol 202.19
    triethyl phosphate 189.39
    4-methyl-2-pentanol 408.88
    propionitrile 1356.4
    vinylene carbonate 941.17
    1,1,2-trichlorotrifluoroethane 1154.52
    DMS 449.77
    cumene 215.64
    2-octanol 240.12
    2-hexanone 660.56
    octyl acetate 311.68
    limonene 316.6
    1,2-dimethoxyethane 1204.13
    ethyl orthosilicate 194.08
    tributyl phosphate 226.89
    diacetone alcohol 708.4
    N,N-dimethylaniline 337.9
    acrylonitrile 1354.68
    aniline 932.61
    1,3-propanediol 808.07
    bromobenzene 1257.08
    dibromomethane 2509.2
    1,1,2,2-tetrachloroethane 2669.69
    2-methyl-cyclohexyl acetate 369.9
    tetrabutyl urea 261.47
    diisobutyl methanol 234.86
    2-phenylethanol 502.5
    styrene 446.87
    dioctyl adipate 332.4
    dimethyl sulfate 377.53
    ethyl butyrate 460.3
    methyl lactate 337.47
    butyl lactate 379.75
    diethyl carbonate 292.57
    propanediol butyl ether 516.32
    triethyl orthoformate 303.6
    p-tert-butyltoluene 184.14
    methyl 4-tert-butylbenzoate 400.07
    morpholine 2279.23
    tert-butylamine 1127.94
    n-dodecanol 148.24
    dimethoxymethane 759.85
    ethylene carbonate 847.77
    cyrene 366.34
    2-ethoxyethyl acetate 577.07
    2-ethylhexyl acetate 523.27
    1,2,4-trichlorobenzene 945.31
    4-methylpyridine 1615.05
    dibutyl ether 456.94
    2,6-dimethyl-4-heptanol 234.86
    DEF 942.72
    dimethyl isosorbide 721.57
    tetrachloroethylene 1684.94
    eugenol 385.72
    triacetin 522.39
    span 80 474.32
    1,4-butanediol 299.76
    1,1-dichloroethane 2375.55
    2-methyl-1-pentanol 635.56
    methyl formate 614.02
    2-methyl-1-butanol 973.96
    n-decane 56.62
    butyronitrile 1400.19
    3,7-dimethyl-1-octanol 366.44
    1-chlorooctane 266.3
    1-chlorotetradecane 92.03
    n-nonane 58.4
    undecane 40.7
    tert-butylcyclohexane 111.6
    cyclooctane 91.83
    cyclopentanol 1417.2
    tetrahydropyran 2348.74
    tert-amyl methyl ether 731.5
    2,5,8-trioxanonane 671.67
    1-hexene 750.88
    2-isopropoxyethanol 468.59
    2,2,2-trifluoroethanol 327.48
    methyl butyrate 716.63

    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