Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene-, 1-acetate

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  • Identifiers

    CAS number
    68479-99-2

    Molecular formula
    C15H26O2

    SMILES
    CC(CCC1C(=C)CCCC1(C)C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 80.47%
    Floral 71.5%
    Fruity 60.32%
    Violet 45.23%
    Sweet 43.94%
    Berry 43.89%
    Orris 41.72%
    Powdery 41.67%
    Dry 40.64%
    Amber 38.71%

     

    Flavor
    Woody 72.9%
    Floral 55.82%
    Sweet 55.38%
    Tropical 42.75%
    Herbal 42.44%
    Citrus 38.38%
    Fruity 37.29%
    Lavender 34.89%
    Raspberry 32.38%
    Wood 31.22%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.26 (weak base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    275°C

    Flash point

    • 118.12 ˚C est.

  • Synonyms

    • EINECS 270-879-5
    • alpha,2,2-Trimethyl-6-methylene-cyclohexanepropanol, acetate
    • Cyclohexanepropanol, .alpha.,2,2-trimethyl-6-methylene-, acetate
    • Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene-, 1-acetate
    • Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene-, acetate
    • RefChem:580606
    • Cyclohexanepropanol, .alpha.,2,2-trimethyl-6-methylene-, 1-acetate
    • 68479-99-2
    • 4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-2-yl acetate
    • DTXSID5052410
    • SCHEMBL29827602
    • GGSLLFSSNHTPMO-UHFFFAOYSA-N
    • NS00013293
    • 68479-99-2

  • Applications

    The compound Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene-, 1-acetate, CAS 68479-99-2, is an ester often used as a fragrance ingredient or fixative in perfumery and personal care formulations; it may also function as a solvent or plasticizer in coating, ink, and cleaning formulations; as a chemical intermediate, it is evaluated for the synthesis of specialized esters for polymers/plastics and related industrial manufacturing, and it can serve in adhesives and other formulation components, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4941.06
    methanol 5556.66
    isopropanol 4610.68
    water 1.22
    ethyl acetate 3257.0
    n-propanol 3721.15
    acetone 3377.62
    n-butanol 2966.87
    acetonitrile 2680.72
    DMF 3593.23
    toluene 1306.73
    isobutanol 2522.58
    1,4-dioxane 4896.11
    methyl acetate 2112.44
    THF 6987.73
    2-butanone 2256.77
    n-pentanol 1433.89
    sec-butanol 2526.24
    n-hexane 134.59
    ethylene glycol 327.68
    NMP 1841.92
    cyclohexane 283.05
    DMSO 1864.4
    n-butyl acetate 1868.41
    n-octanol 560.36
    chloroform 4353.72
    n-propyl acetate 1180.39
    acetic acid 1793.6
    dichloromethane 3714.31
    cyclohexanone 2843.48
    propylene glycol 803.52
    isopropyl acetate 2325.91
    DMAc 1921.24
    2-ethoxyethanol 1625.95
    isopentanol 2342.87
    n-heptane 81.07
    ethyl formate 1426.41
    1,2-dichloroethane 2177.95
    n-hexanol 2029.86
    2-methoxyethanol 3617.21
    isobutyl acetate 845.94
    tetrachloromethane 475.06
    n-pentyl acetate 873.35
    transcutol 6376.38
    n-heptanol 554.98
    ethylbenzene 447.39
    MIBK 1448.42
    2-propoxyethanol 3068.26
    tert-butanol 4589.06
    MTBE 3856.72
    2-butoxyethanol 1036.6
    propionic acid 1461.65
    o-xylene 538.21
    formic acid 595.05
    diethyl ether 3317.86
    m-xylene 881.19
    p-xylene 537.44
    chlorobenzene 1322.81
    dimethyl carbonate 688.91
    n-octane 31.55
    formamide 894.33
    cyclopentanone 2769.91
    2-pentanone 2187.63
    anisole 1047.45
    cyclopentyl methyl ether 2872.76
    gamma-butyrolactone 3111.53
    1-methoxy-2-propanol 3313.83
    pyridine 2208.44
    3-pentanone 1199.93
    furfural 1996.89
    n-dodecane 24.98
    diethylene glycol 1589.79
    diisopropyl ether 875.34
    tert-amyl alcohol 2348.84
    acetylacetone 2197.27
    n-hexadecane 29.94
    acetophenone 709.02
    methyl propionate 1877.76
    isopentyl acetate 1726.55
    trichloroethylene 3525.46
    n-nonanol 462.26
    cyclohexanol 2166.06
    benzyl alcohol 775.21
    2-ethylhexanol 760.88
    isooctanol 433.95
    dipropyl ether 1054.77
    1,2-dichlorobenzene 946.86
    ethyl lactate 433.84
    propylene carbonate 1634.13
    n-methylformamide 1856.06
    2-pentanol 1801.93
    n-pentane 165.73
    1-propoxy-2-propanol 1969.92
    1-methoxy-2-propyl acetate 2011.91
    2-(2-methoxypropoxy) propanol 941.62
    mesitylene 453.33
    ε-caprolactone 2473.2
    p-cymene 260.52
    epichlorohydrin 3859.23
    1,1,1-trichloroethane 2156.13
    2-aminoethanol 1246.05
    morpholine-4-carbaldehyde 2601.66
    sulfolane 2196.12
    2,2,4-trimethylpentane 88.03
    2-methyltetrahydrofuran 4408.69
    n-hexyl acetate 1281.18
    isooctane 91.04
    2-(2-butoxyethoxy)ethanol 1527.49
    sec-butyl acetate 927.1
    tert-butyl acetate 2248.25
    decalin 104.27
    glycerin 768.53
    diglyme 2584.84
    acrylic acid 834.83
    isopropyl myristate 391.45
    n-butyric acid 2590.76
    acetyl acetate 1567.92
    di(2-ethylhexyl) phthalate 352.17
    ethyl propionate 970.47
    nitromethane 2618.44
    1,2-diethoxyethane 2210.16
    benzonitrile 1152.33
    trioctyl phosphate 255.48
    1-bromopropane 1609.88
    gamma-valerolactone 3689.01
    n-decanol 308.63
    triethyl phosphate 315.96
    4-methyl-2-pentanol 969.6
    propionitrile 2017.58
    vinylene carbonate 1386.39
    1,1,2-trichlorotrifluoroethane 1672.39
    DMS 857.2
    cumene 283.53
    2-octanol 384.28
    2-hexanone 1025.12
    octyl acetate 500.96
    limonene 454.92
    1,2-dimethoxyethane 2547.65
    ethyl orthosilicate 332.95
    tributyl phosphate 358.75
    diacetone alcohol 1916.13
    N,N-dimethylaniline 582.12
    acrylonitrile 1701.23
    aniline 1624.91
    1,3-propanediol 1889.18
    bromobenzene 1316.67
    dibromomethane 2382.33
    1,1,2,2-tetrachloroethane 2866.81
    2-methyl-cyclohexyl acetate 698.21
    tetrabutyl urea 401.73
    diisobutyl methanol 380.78
    2-phenylethanol 1020.15
    styrene 586.67
    dioctyl adipate 518.24
    dimethyl sulfate 761.25
    ethyl butyrate 963.97
    methyl lactate 732.01
    butyl lactate 616.27
    diethyl carbonate 547.69
    propanediol butyl ether 1019.66
    triethyl orthoformate 602.55
    p-tert-butyltoluene 277.95
    methyl 4-tert-butylbenzoate 695.01
    morpholine 6213.93
    tert-butylamine 2619.2
    n-dodecanol 213.51
    dimethoxymethane 3119.09
    ethylene carbonate 1362.09
    cyrene 624.59
    2-ethoxyethyl acetate 1292.89
    2-ethylhexyl acetate 1175.27
    1,2,4-trichlorobenzene 1122.24
    4-methylpyridine 2842.51
    dibutyl ether 816.46
    2,6-dimethyl-4-heptanol 380.78
    DEF 1966.53
    dimethyl isosorbide 1601.75
    tetrachloroethylene 1557.69
    eugenol 615.2
    triacetin 909.73
    span 80 815.45
    1,4-butanediol 513.56
    1,1-dichloroethane 2762.99
    2-methyl-1-pentanol 1134.51
    methyl formate 1202.46
    2-methyl-1-butanol 1931.3
    n-decane 49.17
    butyronitrile 2493.93
    3,7-dimethyl-1-octanol 607.52
    1-chlorooctane 321.72
    1-chlorotetradecane 104.42
    n-nonane 48.3
    undecane 33.65
    tert-butylcyclohexane 110.59
    cyclooctane 76.42
    cyclopentanol 2003.18
    tetrahydropyran 5198.77
    tert-amyl methyl ether 1662.83
    2,5,8-trioxanonane 1568.66
    1-hexene 643.85
    2-isopropoxyethanol 1100.74
    2,2,2-trifluoroethanol 481.0
    methyl butyrate 1219.83

    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