Cyclohexanemethanol, 3,5-dimethyl-, 1-acetate

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  • Identifiers

    CAS number
    68213-86-5

    Molecular formula
    C11H20O2

    SMILES
    CC1CC(CC(C1)COC(=O)C)C

  • Odor profile

    Fragrance
    Floral 73.21%
    Fruity 60.25%
    Sweet 49.73%
    Fresh 48.1%
    Green 47.11%
    Herbal 44.01%
    Mint 36.69%
    Rose 33.54%
    Woody 33.2%
    Citrus 32.04%

     

    Flavor
    Fruity 67.16%
    Sweet 57.66%
    Herbal 46.91%
    Fruit 43.18%
    Minty 33.82%
    Tropical 33.8%
    Raspberry 33.12%
    Mint 32.77%
    Spicy 31.31%
    Rose 31.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.57 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    227°C

    Flash point

    • 99.03 ˚C est.

  • Synonyms

    • (3,5-dimethylcyclohexyl)methyl acetate
    • 68213-86-5
    • 3,5-Dimethylcyclohexylmethyl acetate
    • Cyclohexanemethanol, 3,5-dimethyl-, acetate
    • EINECS 269-269-1
    • Cyclohexanemethanol, 3,5-dimethyl-, 1-acetate
    • DTXSID60867530
    • DTXCID00815712
    • OXVQPTPRLXNTPZ-UHFFFAOYSA-N
    • 3,5-dimethyl cyclohexyl methyl acetate
    • NS00012291

  • Applications

    Cyclohexanemethanol, 3,5-dimethyl-, 1-acetate (CAS 68213-86-5) is primarily used in fragrance chemistry as a fragrance ingredient and fixative, helping to impart woody-aromatic notes and improve scent longevity in perfumes. It may be incorporated into cosmetics and personal care formulations to contribute aroma, and can also serve as an odorant component in household products such as cleaners and air fresheners. In industrial manufacturing, it is often evaluated as an intermediate in fragrance synthesis and may be used in coatings and inks to provide aroma; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1600.42
    methanol 2038.77
    isopropanol 1198.97
    water 2.46
    ethyl acetate 1228.43
    n-propanol 1284.78
    acetone 1696.44
    n-butanol 1131.22
    acetonitrile 960.06
    DMF 1508.77
    toluene 694.3
    isobutanol 908.6
    1,4-dioxane 1734.24
    methyl acetate 949.45
    THF 2362.46
    2-butanone 1168.34
    n-pentanol 621.57
    sec-butanol 906.38
    n-hexane 228.17
    ethylene glycol 307.02
    NMP 1243.06
    cyclohexane 264.44
    DMSO 1281.75
    n-butyl acetate 839.36
    n-octanol 250.04
    chloroform 2945.84
    n-propyl acetate 585.0
    acetic acid 1530.36
    dichloromethane 1891.44
    cyclohexanone 1502.34
    propylene glycol 430.84
    isopropyl acetate 861.96
    DMAc 1163.44
    2-ethoxyethanol 807.57
    isopentanol 1007.41
    n-heptane 52.85
    ethyl formate 708.27
    1,2-dichloroethane 1535.83
    n-hexanol 809.18
    2-methoxyethanol 1504.88
    isobutyl acetate 411.84
    tetrachloromethane 583.41
    n-pentyl acetate 386.92
    transcutol 2763.44
    n-heptanol 268.62
    ethylbenzene 290.85
    MIBK 671.41
    2-propoxyethanol 1236.99
    tert-butanol 1404.66
    MTBE 1431.51
    2-butoxyethanol 530.45
    propionic acid 987.32
    o-xylene 369.15
    formic acid 645.81
    diethyl ether 1301.67
    m-xylene 465.23
    p-xylene 341.32
    chlorobenzene 891.59
    dimethyl carbonate 324.01
    n-octane 19.59
    formamide 659.6
    cyclopentanone 1567.63
    2-pentanone 1087.06
    anisole 557.79
    cyclopentyl methyl ether 1187.51
    gamma-butyrolactone 1569.48
    1-methoxy-2-propanol 1083.26
    pyridine 1269.47
    3-pentanone 745.79
    furfural 1337.9
    n-dodecane 12.45
    diethylene glycol 808.52
    diisopropyl ether 378.61
    tert-amyl alcohol 1023.3
    acetylacetone 1009.31
    n-hexadecane 15.08
    acetophenone 446.21
    methyl propionate 789.97
    isopentyl acetate 765.14
    trichloroethylene 2655.15
    n-nonanol 206.32
    cyclohexanol 1009.74
    benzyl alcohol 480.93
    2-ethylhexanol 382.92
    isooctanol 211.97
    dipropyl ether 420.26
    1,2-dichlorobenzene 711.43
    ethyl lactate 260.25
    propylene carbonate 863.21
    n-methylformamide 975.24
    2-pentanol 734.85
    n-pentane 167.8
    1-propoxy-2-propanol 772.16
    1-methoxy-2-propyl acetate 769.0
    2-(2-methoxypropoxy) propanol 471.94
    mesitylene 284.12
    ε-caprolactone 1257.6
    p-cymene 162.86
    epichlorohydrin 1798.6
    1,1,1-trichloroethane 1737.21
    2-aminoethanol 641.95
    morpholine-4-carbaldehyde 1276.74
    sulfolane 1553.79
    2,2,4-trimethylpentane 81.31
    2-methyltetrahydrofuran 1687.79
    n-hexyl acetate 563.04
    isooctane 64.85
    2-(2-butoxyethoxy)ethanol 735.11
    sec-butyl acetate 474.51
    tert-butyl acetate 899.29
    decalin 103.7
    glycerin 543.88
    diglyme 1154.6
    acrylic acid 818.16
    isopropyl myristate 177.17
    n-butyric acid 1415.78
    acetyl acetate 717.92
    di(2-ethylhexyl) phthalate 196.39
    ethyl propionate 514.62
    nitromethane 1653.54
    1,2-diethoxyethane 790.96
    benzonitrile 633.85
    trioctyl phosphate 135.19
    1-bromopropane 1025.82
    gamma-valerolactone 1872.46
    n-decanol 143.64
    triethyl phosphate 192.96
    4-methyl-2-pentanol 410.14
    propionitrile 861.83
    vinylene carbonate 804.71
    1,1,2-trichlorotrifluoroethane 1376.14
    DMS 466.83
    cumene 193.19
    2-octanol 166.74
    2-hexanone 615.35
    octyl acetate 230.32
    limonene 249.74
    1,2-dimethoxyethane 1262.34
    ethyl orthosilicate 215.03
    tributyl phosphate 198.73
    diacetone alcohol 810.36
    N,N-dimethylaniline 331.21
    acrylonitrile 891.83
    aniline 870.92
    1,3-propanediol 908.05
    bromobenzene 892.24
    dibromomethane 1422.84
    1,1,2,2-tetrachloroethane 2390.85
    2-methyl-cyclohexyl acetate 352.54
    tetrabutyl urea 218.0
    diisobutyl methanol 204.6
    2-phenylethanol 502.73
    styrene 384.48
    dioctyl adipate 251.46
    dimethyl sulfate 466.74
    ethyl butyrate 424.37
    methyl lactate 378.62
    butyl lactate 365.45
    diethyl carbonate 273.2
    propanediol butyl ether 513.79
    triethyl orthoformate 331.66
    p-tert-butyltoluene 166.6
    methyl 4-tert-butylbenzoate 357.3
    morpholine 1977.64
    tert-butylamine 915.63
    n-dodecanol 101.77
    dimethoxymethane 964.1
    ethylene carbonate 735.37
    cyrene 368.03
    2-ethoxyethyl acetate 618.82
    2-ethylhexyl acetate 590.3
    1,2,4-trichlorobenzene 846.96
    4-methylpyridine 1316.75
    dibutyl ether 334.64
    2,6-dimethyl-4-heptanol 204.6
    DEF 960.28
    dimethyl isosorbide 686.49
    tetrachloroethylene 1575.73
    eugenol 352.97
    triacetin 476.75
    span 80 406.88
    1,4-butanediol 330.85
    1,1-dichloroethane 1787.73
    2-methyl-1-pentanol 576.01
    methyl formate 683.13
    2-methyl-1-butanol 906.33
    n-decane 26.37
    butyronitrile 948.84
    3,7-dimethyl-1-octanol 305.24
    1-chlorooctane 165.07
    1-chlorotetradecane 50.99
    n-nonane 26.03
    undecane 17.16
    tert-butylcyclohexane 95.77
    cyclooctane 73.41
    cyclopentanol 946.34
    tetrahydropyran 1845.69
    tert-amyl methyl ether 902.76
    2,5,8-trioxanonane 688.61
    1-hexene 606.4
    2-isopropoxyethanol 575.58
    2,2,2-trifluoroethanol 539.54
    methyl butyrate 660.94

    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