Cyclohexanepropanol, alpha,beta,2,6,6-pentamethyl-, 1-acetate

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  • Identifiers

    CAS number
    60241-55-6

    Molecular formula
    C16H30O2

    SMILES
    CC1CCCC(C1CC(C)C(C)OC(=O)C)(C)C

  • Odor profile

    Fragrance
    Woody 86.24%
    Floral 56.99%
    Fruity 48.9%
    Amber 48.38%
    Dry 44.68%
    Vetiver 43.29%
    Powdery 41.68%
    Violet 39.29%
    Cedar 39.19%
    Sandalwood 38.45%

     

    Flavor
    Woody 69.86%
    Sweet 57.22%
    Herbal 45.04%
    Floral 37.4%
    Citrus 37.13%
    Tropical 36.24%
    Pine 34.98%
    Green 33.11%
    Camphor 29.84%
    Lavender 28.88%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    8.46 (weak base)

    Molecular weight
    254.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    282°C

    Flash point

    • 119.21 ˚C est.

  • Synonyms

    • 60241-55-6
    • iso-Methyl tetrahydroionyl acetate
    • Methyltetrahydroionyl acetate
    • Cyclohexanepropanol, alpha,beta,2,2,6-pentamethyl-, acetate
    • EINECS 262-118-0
    • [3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-yl] acetate
    • DTXSID20886166
    • Cyclohexanepropanol, alpha,beta,2,6,6-pentamethyl-, 1-acetate
    • Cyclohexanepropanol, .alpha.,.beta.,2,6,6-pentamethyl-, 1-acetate
    • alpha,beta,2,2,6-Pentamethylcyclohexylpropyl acetate
    • SCHEMBL3504923
    • isomethyl tetrahydroionyl acetate
    • URFHDVSDYWQMJU-UHFFFAOYSA-N
    • DTXCID101025507
    • Cyclohexanepropanol, .alpha.,.beta.,2,2,6-pentamethyl-, acetate
    • DB-053567
    • NS00057010

  • Applications

    Cyclohexanepropanol, alpha,beta,2,6,6-pentamethyl-, 1-acetate (CAS 60241-55-6) is used in real-world applications primarily as a fragrance ingredient and fixative in perfumery, helping to stabilize and extend scents; it is also commonly employed as a solvent or solvent carrier in cosmetic and personal care formulations, facilitating the dissolution of fragrance components and providing a smooth skin feel; in coatings, inks, and adhesives, this ester can serve as a processing solvent or additive to adjust evaporation and viscosity; it may function as an intermediate or solvent in polymer and plastics processing, enabling formulation adjustments and synthesis; it may also find use in household cleaning products as a solvent or fragrance carrier, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2300.52
    methanol 1957.05
    isopropanol 3051.01
    water 0.74
    ethyl acetate 2846.92
    n-propanol 2203.6
    acetone 2777.09
    n-butanol 1863.94
    acetonitrile 1884.9
    DMF 2268.96
    toluene 1437.06
    isobutanol 1987.43
    1,4-dioxane 3717.75
    methyl acetate 2080.17
    THF 5566.05
    2-butanone 2509.53
    n-pentanol 979.71
    sec-butanol 1971.1
    n-hexane 285.74
    ethylene glycol 181.31
    NMP 1459.42
    cyclohexane 512.65
    DMSO 1281.63
    n-butyl acetate 2028.34
    n-octanol 709.26
    chloroform 3940.35
    n-propyl acetate 1295.58
    acetic acid 900.11
    dichloromethane 3171.07
    cyclohexanone 2909.86
    propylene glycol 521.73
    isopropyl acetate 2209.22
    DMAc 1715.97
    2-ethoxyethanol 1067.06
    isopentanol 1763.5
    n-heptane 164.14
    ethyl formate 1146.28
    1,2-dichloroethane 2101.16
    n-hexanol 1806.02
    2-methoxyethanol 1947.83
    isobutyl acetate 1119.36
    tetrachloromethane 731.66
    n-pentyl acetate 1064.15
    transcutol 3650.87
    n-heptanol 695.09
    ethylbenzene 678.44
    MIBK 1418.52
    2-propoxyethanol 2128.06
    tert-butanol 3590.28
    MTBE 4159.92
    2-butoxyethanol 968.57
    propionic acid 1147.52
    o-xylene 816.2
    formic acid 186.04
    diethyl ether 2692.95
    m-xylene 1045.95
    p-xylene 910.62
    chlorobenzene 1460.41
    dimethyl carbonate 559.5
    n-octane 84.6
    formamide 304.7
    cyclopentanone 2915.95
    2-pentanone 1971.19
    anisole 1147.94
    cyclopentyl methyl ether 2417.54
    gamma-butyrolactone 2678.67
    1-methoxy-2-propanol 2028.06
    pyridine 1910.19
    3-pentanone 1413.76
    furfural 1651.62
    n-dodecane 60.76
    diethylene glycol 1000.39
    diisopropyl ether 1028.52
    tert-amyl alcohol 2219.91
    acetylacetone 2072.5
    n-hexadecane 73.53
    acetophenone 911.59
    methyl propionate 1668.09
    isopentyl acetate 1915.51
    trichloroethylene 3199.82
    n-nonanol 595.64
    cyclohexanol 1798.16
    benzyl alcohol 783.81
    2-ethylhexanol 889.77
    isooctanol 600.02
    dipropyl ether 1100.57
    1,2-dichlorobenzene 1126.88
    ethyl lactate 450.04
    propylene carbonate 1536.88
    n-methylformamide 942.13
    2-pentanol 1446.05
    n-pentane 270.01
    1-propoxy-2-propanol 1734.36
    1-methoxy-2-propyl acetate 1865.51
    2-(2-methoxypropoxy) propanol 882.29
    mesitylene 686.23
    ε-caprolactone 2400.78
    p-cymene 425.22
    epichlorohydrin 3007.23
    1,1,1-trichloroethane 2718.22
    2-aminoethanol 639.57
    morpholine-4-carbaldehyde 1990.46
    sulfolane 2134.36
    2,2,4-trimethylpentane 169.28
    2-methyltetrahydrofuran 3711.44
    n-hexyl acetate 1537.47
    isooctane 157.09
    2-(2-butoxyethoxy)ethanol 1287.12
    sec-butyl acetate 1126.43
    tert-butyl acetate 2227.47
    decalin 214.38
    glycerin 457.28
    diglyme 2088.74
    acrylic acid 624.47
    isopropyl myristate 551.06
    n-butyric acid 1958.73
    acetyl acetate 1438.73
    di(2-ethylhexyl) phthalate 425.05
    ethyl propionate 1117.61
    nitromethane 1521.23
    1,2-diethoxyethane 1715.37
    benzonitrile 1149.67
    trioctyl phosphate 343.18
    1-bromopropane 1821.42
    gamma-valerolactone 3228.73
    n-decanol 419.2
    triethyl phosphate 373.57
    4-methyl-2-pentanol 963.26
    propionitrile 1773.7
    vinylene carbonate 1241.03
    1,1,2-trichlorotrifluoroethane 1317.47
    DMS 985.62
    cumene 475.61
    2-octanol 541.27
    2-hexanone 1171.58
    octyl acetate 682.29
    limonene 666.61
    1,2-dimethoxyethane 2068.74
    ethyl orthosilicate 393.61
    tributyl phosphate 421.59
    diacetone alcohol 1611.59
    N,N-dimethylaniline 702.68
    acrylonitrile 1433.15
    aniline 1365.21
    1,3-propanediol 973.83
    bromobenzene 1604.55
    dibromomethane 2305.36
    1,1,2,2-tetrachloroethane 2816.49
    2-methyl-cyclohexyl acetate 818.04
    tetrabutyl urea 478.28
    diisobutyl methanol 521.01
    2-phenylethanol 1014.45
    styrene 776.0
    dioctyl adipate 666.56
    dimethyl sulfate 696.89
    ethyl butyrate 1146.88
    methyl lactate 601.48
    butyl lactate 754.31
    diethyl carbonate 628.83
    propanediol butyl ether 1022.72
    triethyl orthoformate 688.14
    p-tert-butyltoluene 448.07
    methyl 4-tert-butylbenzoate 847.51
    morpholine 4085.89
    tert-butylamine 2549.59
    n-dodecanol 315.4
    dimethoxymethane 1897.78
    ethylene carbonate 1274.02
    cyrene 619.88
    2-ethoxyethyl acetate 1320.3
    2-ethylhexyl acetate 1387.93
    1,2,4-trichlorobenzene 1248.21
    4-methylpyridine 2387.72
    dibutyl ether 1015.34
    2,6-dimethyl-4-heptanol 521.01
    DEF 1700.94
    dimethyl isosorbide 1459.6
    tetrachloroethylene 1616.1
    eugenol 687.45
    triacetin 1029.56
    span 80 819.12
    1,4-butanediol 362.92
    1,1-dichloroethane 3001.49
    2-methyl-1-pentanol 907.92
    methyl formate 722.87
    2-methyl-1-butanol 1512.32
    n-decane 121.72
    butyronitrile 2046.65
    3,7-dimethyl-1-octanol 748.79
    1-chlorooctane 541.12
    1-chlorotetradecane 196.63
    n-nonane 126.39
    undecane 82.69
    tert-butylcyclohexane 220.19
    cyclooctane 168.21
    cyclopentanol 1844.03
    tetrahydropyran 4288.57
    tert-amyl methyl ether 1946.04
    2,5,8-trioxanonane 1258.41
    1-hexene 963.01
    2-isopropoxyethanol 934.08
    2,2,2-trifluoroethanol 340.04
    methyl butyrate 1428.63

    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