Cyclohexanepropanol, alpha,2,2,6-tetramethyl-, 1-acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    68555-59-9

    Molecular formula
    C15H28O2

    SMILES
    CC1CCCC(C1CCC(C)OC(=O)C)(C)C

  • Odor profile

    Fragrance
    Woody 77.34%
    Floral 76.54%
    Fruity 74.21%
    Berry 42.77%
    Sweet 38.86%
    Rose 38.73%
    Powdery 38.22%
    Dry 36.68%
    Violet 35.95%
    Amber 34.52%

     

    Flavor
    Woody 68.86%
    Sweet 63.78%
    Herbal 48.71%
    Floral 40.16%
    Citrus 38.1%
    Tropical 37.47%
    Pine 34.08%
    Green 31.34%
    Rose 30.11%
    Camphor 29.59%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.33 (weak base)

    Molecular weight
    240.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    274°C

    Flash point

    • 117.51 ˚C est.

  • Synonyms

    • Tetrahydroionyl acetate
    • 68555-59-9
    • EINECS 271-435-3
    • 4-(2,2,6-trimethylcyclohexyl)butan-2-yl acetate
    • DTXSID30887462
    • Cyclohexanepropanol, .alpha.,2,2,6-tetramethyl-, acetate
    • Cyclohexanepropanol, alpha,2,2,6-tetramethyl-, 1-acetate
    • 2-Butanol, 4-[2,2,6-trimethylcyclohexyl]-, acetate
    • Cyclohexanepropanol, .alpha.,2,2,6-tetramethyl-, 1-acetate
    • 2-Butanol, 4-(2,2,6-trimethylcyclohexyl)-, acetate
    • alpha,2,2,6-Tetramethylcyclohexylpropyl acetate
    • SCHEMBL3505109
    • Cyclohexanepropanol, alpha,2,2,6-tetramethyl-, acetate
    • DTXCID801026756
    • DB-055167
    • NS00123956
    • 1-Methyl-3-(2,2,6-trimethylcyclohexyl)propyl acetate #

  • Applications

    Cyclohexanepropanol, alpha,2,2,6-tetramethyl-, 1-acetate (CAS 68555-59-9) is primarily used as a fragrance ingredient and fixative in perfumery, helping to stabilize and extend aroma; it may function as a solvent or intermediate in organic synthesis for industrial manufacturing; it appears in cosmetics and personal care formulations as a fragrance component; it is used in household products as a scent additive and aroma modifier; in industrial applications it can act as a plasticizer or processing aid for polymers and coatings, and may serve as an intermediate in polymer and specialty chemical production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3776.43
    methanol 4010.82
    isopropanol 3386.56
    water 1.2
    ethyl acetate 3356.56
    n-propanol 2934.79
    acetone 3531.48
    n-butanol 2410.89
    acetonitrile 2634.59
    DMF 2838.89
    toluene 1434.78
    isobutanol 2030.27
    1,4-dioxane 4834.79
    methyl acetate 2198.03
    THF 6749.66
    2-butanone 2452.45
    n-pentanol 1138.21
    sec-butanol 1883.54
    n-hexane 247.73
    ethylene glycol 250.87
    NMP 1926.66
    cyclohexane 526.21
    DMSO 1715.56
    n-butyl acetate 2170.33
    n-octanol 588.36
    chloroform 4147.3
    n-propyl acetate 1294.71
    acetic acid 1544.88
    dichloromethane 3611.8
    cyclohexanone 3311.48
    propylene glycol 560.31
    isopropyl acetate 2349.86
    DMAc 1739.53
    2-ethoxyethanol 1329.28
    isopentanol 1968.7
    n-heptane 146.66
    ethyl formate 1355.26
    1,2-dichloroethane 2411.49
    n-hexanol 2027.45
    2-methoxyethanol 2883.63
    isobutyl acetate 995.18
    tetrachloromethane 651.75
    n-pentyl acetate 1005.89
    transcutol 5523.17
    n-heptanol 613.71
    ethylbenzene 528.88
    MIBK 1440.57
    2-propoxyethanol 2857.61
    tert-butanol 3471.27
    MTBE 3990.45
    2-butoxyethanol 1040.01
    propionic acid 1458.17
    o-xylene 670.25
    formic acid 445.7
    diethyl ether 3633.66
    m-xylene 996.65
    p-xylene 647.65
    chlorobenzene 1524.5
    dimethyl carbonate 635.07
    n-octane 53.46
    formamide 694.99
    cyclopentanone 3148.79
    2-pentanone 2288.86
    anisole 1043.08
    cyclopentyl methyl ether 2989.84
    gamma-butyrolactone 3366.64
    1-methoxy-2-propanol 2492.53
    pyridine 2151.12
    3-pentanone 1438.46
    furfural 1970.21
    n-dodecane 37.14
    diethylene glycol 1318.09
    diisopropyl ether 1081.35
    tert-amyl alcohol 2053.91
    acetylacetone 2264.94
    n-hexadecane 45.21
    acetophenone 766.16
    methyl propionate 2007.64
    isopentyl acetate 1974.2
    trichloroethylene 3638.25
    n-nonanol 500.61
    cyclohexanol 2148.06
    benzyl alcohol 724.69
    2-ethylhexanol 882.6
    isooctanol 482.41
    dipropyl ether 1299.61
    1,2-dichlorobenzene 1109.58
    ethyl lactate 423.58
    propylene carbonate 1660.4
    n-methylformamide 1627.1
    2-pentanol 1477.47
    n-pentane 269.05
    1-propoxy-2-propanol 1979.64
    1-methoxy-2-propyl acetate 2104.29
    2-(2-methoxypropoxy) propanol 898.68
    mesitylene 580.33
    ε-caprolactone 2741.15
    p-cymene 321.71
    epichlorohydrin 3662.86
    1,1,1-trichloroethane 2543.9
    2-aminoethanol 892.4
    morpholine-4-carbaldehyde 2415.04
    sulfolane 2521.17
    2,2,4-trimethylpentane 130.59
    2-methyltetrahydrofuran 4610.31
    n-hexyl acetate 1428.74
    isooctane 128.55
    2-(2-butoxyethoxy)ethanol 1414.47
    sec-butyl acetate 1051.37
    tert-butyl acetate 2353.11
    decalin 172.4
    glycerin 567.31
    diglyme 2448.51
    acrylic acid 836.78
    isopropyl myristate 454.85
    n-butyric acid 2474.45
    acetyl acetate 1672.03
    di(2-ethylhexyl) phthalate 375.31
    ethyl propionate 1143.88
    nitromethane 2453.89
    1,2-diethoxyethane 2259.84
    benzonitrile 1167.16
    trioctyl phosphate 286.94
    1-bromopropane 1873.89
    gamma-valerolactone 3877.29
    n-decanol 336.71
    triethyl phosphate 366.66
    4-methyl-2-pentanol 882.85
    propionitrile 2124.29
    vinylene carbonate 1372.08
    1,1,2-trichlorotrifluoroethane 1610.78
    DMS 948.43
    cumene 353.21
    2-octanol 408.03
    2-hexanone 1153.91
    octyl acetate 581.07
    limonene 592.51
    1,2-dimethoxyethane 2373.02
    ethyl orthosilicate 388.34
    tributyl phosphate 399.62
    diacetone alcohol 1773.66
    N,N-dimethylaniline 585.06
    acrylonitrile 1687.86
    aniline 1596.22
    1,3-propanediol 1408.72
    bromobenzene 1617.63
    dibromomethane 2538.02
    1,1,2,2-tetrachloroethane 2932.2
    2-methyl-cyclohexyl acetate 809.74
    tetrabutyl urea 432.22
    diisobutyl methanol 433.22
    2-phenylethanol 997.08
    styrene 653.31
    dioctyl adipate 576.12
    dimethyl sulfate 750.88
    ethyl butyrate 1149.54
    methyl lactate 639.66
    butyl lactate 667.92
    diethyl carbonate 626.71
    propanediol butyl ether 920.53
    triethyl orthoformate 712.32
    p-tert-butyltoluene 336.46
    methyl 4-tert-butylbenzoate 738.59
    morpholine 5737.3
    tert-butylamine 2380.23
    n-dodecanol 236.14
    dimethoxymethane 2641.56
    ethylene carbonate 1431.27
    cyrene 613.33
    2-ethoxyethyl acetate 1419.37
    2-ethylhexyl acetate 1422.79
    1,2,4-trichlorobenzene 1268.28
    4-methylpyridine 2733.5
    dibutyl ether 934.17
    2,6-dimethyl-4-heptanol 433.22
    DEF 2067.24
    dimethyl isosorbide 1532.31
    tetrachloroethylene 1749.17
    eugenol 614.65
    triacetin 982.35
    span 80 795.49
    1,4-butanediol 385.62
    1,1-dichloroethane 2891.34
    2-methyl-1-pentanol 966.05
    methyl formate 1019.66
    2-methyl-1-butanol 1651.78
    n-decane 77.79
    butyronitrile 2465.13
    3,7-dimethyl-1-octanol 646.15
    1-chlorooctane 413.45
    1-chlorotetradecane 135.7
    n-nonane 79.67
    undecane 51.24
    tert-butylcyclohexane 171.06
    cyclooctane 153.48
    cyclopentanol 1921.98
    tetrahydropyran 5615.7
    tert-amyl methyl ether 1836.8
    2,5,8-trioxanonane 1416.94
    1-hexene 900.28
    2-isopropoxyethanol 948.47
    2,2,2-trifluoroethanol 475.49
    methyl butyrate 1348.38

    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