Cyclohexanemethanol, 2,3,6-trimethyl-, 1-acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67801-27-8

    Molecular formula
    C12H22O2

    SMILES
    CC1CCC(C(C1C)COC(=O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 79.16%
    Fruity 78.51%
    Woody 69.07%
    Herbal 65.61%
    Sweet 61.97%
    Fresh 49.23%
    Rose 44.92%
    Mint 44.73%
    Spicy 36.1%
    Balsamic 33.49%

     

    Flavor
    Fruity 65.48%
    Sweet 63.18%
    Herbal 61.93%
    Fruit 48.35%
    Tropical 41.71%
    Woody 40.98%
    Herb 37.39%
    Raspberry 37.14%
    Minty 37.13%
    Rose 36.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.64 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point

    • 96.76 ˚C est.

  • Synonyms

    • 67801-27-8
    • EINECS 267-147-2
    • Cyclohexanemethanol, 2,3,6-trimethyl-, acetate
    • Cyclohexanemethanol, 2,3,6-trimethyl-, 1-acetate
    • DTXSID40886906
    • RefChem:129579
    • DTXCID701026222
    • 2,3,6-Trimethylcyclohexylmethyl acetate
    • (2,3,6-trimethylcyclohexyl)methyl acetate
    • YHSAULCEFFMJLK-UHFFFAOYSA-N
    • NS00013278
    • 67801-27-8

  • Applications

    Cyclohexanemethanol, 2,3,6-trimethyl-, 1-acetate (CAS 67801-27-8) is used as a fragrance ingredient and odorant in perfumery and cosmetics, providing aroma notes in formulations. It is also employed in household products such as air fresheners and cleaners to impart fragrance. As an ester, it can act as a component or intermediate in the synthesis of related aroma chemicals for fragrance portfolios. In industrial manufacturing, it may be evaluated as a processing aid or plasticizer for certain polymers or coatings, depending on regulatory and formulation limits. Its use should comply with local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1186.33
    methanol 1258.34
    isopropanol 1131.4
    water 1.51
    ethyl acetate 1091.9
    n-propanol 949.52
    acetone 1177.34
    n-butanol 828.82
    acetonitrile 1094.89
    DMF 966.83
    toluene 612.18
    isobutanol 655.0
    1,4-dioxane 2389.35
    methyl acetate 865.08
    THF 2390.37
    2-butanone 887.31
    n-pentanol 443.17
    sec-butanol 654.74
    n-hexane 79.28
    ethylene glycol 120.67
    NMP 863.6
    cyclohexane 242.93
    DMSO 922.12
    n-butyl acetate 751.16
    n-octanol 178.48
    chloroform 3209.75
    n-propyl acetate 475.38
    acetic acid 787.28
    dichloromethane 2313.46
    cyclohexanone 1486.15
    propylene glycol 226.89
    isopropyl acetate 657.19
    DMAc 595.11
    2-ethoxyethanol 495.6
    isopentanol 713.16
    n-heptane 37.7
    ethyl formate 573.05
    1,2-dichloroethane 1460.16
    n-hexanol 625.38
    2-methoxyethanol 968.87
    isobutyl acetate 308.98
    tetrachloromethane 505.29
    n-pentyl acetate 356.0
    transcutol 2089.62
    n-heptanol 216.54
    ethylbenzene 265.24
    MIBK 440.69
    2-propoxyethanol 838.14
    tert-butanol 1250.93
    MTBE 974.73
    2-butoxyethanol 396.02
    propionic acid 663.83
    o-xylene 350.41
    formic acid 244.65
    diethyl ether 998.53
    m-xylene 416.19
    p-xylene 359.09
    chlorobenzene 937.5
    dimethyl carbonate 203.98
    n-octane 14.82
    formamide 385.04
    cyclopentanone 1527.77
    2-pentanone 745.92
    anisole 503.99
    cyclopentyl methyl ether 928.4
    gamma-butyrolactone 1649.82
    1-methoxy-2-propanol 741.14
    pyridine 1381.49
    3-pentanone 504.16
    furfural 1192.89
    n-dodecane 11.31
    diethylene glycol 482.82
    diisopropyl ether 253.67
    tert-amyl alcohol 741.55
    acetylacetone 750.15
    n-hexadecane 14.0
    acetophenone 406.54
    methyl propionate 607.17
    isopentyl acetate 659.98
    trichloroethylene 2538.79
    n-nonanol 160.97
    cyclohexanol 874.67
    benzyl alcohol 390.61
    2-ethylhexanol 303.98
    isooctanol 178.26
    dipropyl ether 334.98
    1,2-dichlorobenzene 700.58
    ethyl lactate 179.04
    propylene carbonate 806.93
    n-methylformamide 587.84
    2-pentanol 511.5
    n-pentane 84.9
    1-propoxy-2-propanol 592.08
    1-methoxy-2-propyl acetate 625.76
    2-(2-methoxypropoxy) propanol 374.42
    mesitylene 243.61
    ε-caprolactone 1237.59
    p-cymene 157.31
    epichlorohydrin 1719.08
    1,1,1-trichloroethane 1599.49
    2-aminoethanol 353.25
    morpholine-4-carbaldehyde 1043.67
    sulfolane 1233.1
    2,2,4-trimethylpentane 44.39
    2-methyltetrahydrofuran 1804.16
    n-hexyl acetate 473.98
    isooctane 36.01
    2-(2-butoxyethoxy)ethanol 557.12
    sec-butyl acetate 363.83
    tert-butyl acetate 611.18
    decalin 79.1
    glycerin 271.21
    diglyme 1036.6
    acrylic acid 469.6
    isopropyl myristate 158.88
    n-butyric acid 1044.5
    acetyl acetate 620.22
    di(2-ethylhexyl) phthalate 170.88
    ethyl propionate 404.11
    nitromethane 1139.03
    1,2-diethoxyethane 713.05
    benzonitrile 671.95
    trioctyl phosphate 116.96
    1-bromopropane 806.44
    gamma-valerolactone 1773.56
    n-decanol 113.36
    triethyl phosphate 169.65
    4-methyl-2-pentanol 289.2
    propionitrile 812.22
    vinylene carbonate 722.9
    1,1,2-trichlorotrifluoroethane 874.94
    DMS 389.14
    cumene 180.81
    2-octanol 141.27
    2-hexanone 477.65
    octyl acetate 198.93
    limonene 240.01
    1,2-dimethoxyethane 982.66
    ethyl orthosilicate 175.14
    tributyl phosphate 158.52
    diacetone alcohol 544.44
    N,N-dimethylaniline 278.49
    acrylonitrile 804.36
    aniline 797.74
    1,3-propanediol 592.68
    bromobenzene 1011.61
    dibromomethane 1585.17
    1,1,2,2-tetrachloroethane 2055.34
    2-methyl-cyclohexyl acetate 324.52
    tetrabutyl urea 165.83
    diisobutyl methanol 169.35
    2-phenylethanol 449.52
    styrene 350.79
    dioctyl adipate 236.52
    dimethyl sulfate 291.4
    ethyl butyrate 422.51
    methyl lactate 240.65
    butyl lactate 277.43
    diethyl carbonate 270.5
    propanediol butyl ether 351.54
    triethyl orthoformate 280.48
    p-tert-butyltoluene 156.49
    methyl 4-tert-butylbenzoate 345.05
    morpholine 2509.05
    tert-butylamine 802.86
    n-dodecanol 81.36
    dimethoxymethane 607.5
    ethylene carbonate 699.2
    cyrene 305.23
    2-ethoxyethyl acetate 515.73
    2-ethylhexyl acetate 494.55
    1,2,4-trichlorobenzene 804.04
    4-methylpyridine 1308.57
    dibutyl ether 256.74
    2,6-dimethyl-4-heptanol 169.35
    DEF 647.25
    dimethyl isosorbide 642.4
    tetrachloroethylene 1370.64
    eugenol 316.6
    triacetin 398.49
    span 80 344.06
    1,4-butanediol 162.41
    1,1-dichloroethane 1693.03
    2-methyl-1-pentanol 384.52
    methyl formate 427.53
    2-methyl-1-butanol 566.79
    n-decane 22.12
    butyronitrile 827.64
    3,7-dimethyl-1-octanol 216.53
    1-chlorooctane 138.77
    1-chlorotetradecane 46.46
    n-nonane 20.82
    undecane 15.0
    tert-butylcyclohexane 65.58
    cyclooctane 55.23
    cyclopentanol 888.2
    tetrahydropyran 2171.25
    tert-amyl methyl ether 487.73
    2,5,8-trioxanonane 611.45
    1-hexene 322.82
    2-isopropoxyethanol 356.81
    2,2,2-trifluoroethanol 284.21
    methyl butyrate 537.68

    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