alpha,beta,2,2,6-Pentamethylcyclohexanepropanol

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  • Identifiers

    CAS number
    60241-53-4

    Molecular formula
    C14H28O

    SMILES
    CC1CCCC(C1CC(C)C(C)O)(C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 89.72%
    Sandalwood 59.53%
    Amber 59.5%
    Floral 50.42%
    Dry 46.54%
    Vetiver 44.91%
    Musk 41.13%
    Cedar 39.98%
    Powdery 37.79%
    Violet 37.74%

     

    Flavor
    Woody 62.12%
    Sweet 49.5%
    Floral 35.21%
    Herbal 33.19%
    Green 32.06%
    Balsam 32.01%
    Mild 31.91%
    Pine 31.65%
    Citrus 30.8%
    Wood 29.16%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    9.29 (weak base)

    Molecular weight
    212.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    272°C

    Flash point

    • 111.18 ˚C est.

  • Synonyms

    • iso-Methyl tetrahydroionol
    • 60241-53-4
    • Methyltetrahydroionol
    • VIOLET PROPANOL
    • Cyclohexanepropanol, .alpha.,.beta.,2,2,6-pentamethyl-
    • TIMBRANOL
    • W5L6ZT39B7
    • 4-(2,6,6-Trimethylcyclohexyl)-3-methylbutan-2-ol
    • EINECS 262-117-5
    • alpha,beta,2,2,6-Pentamethylcyclohexanepropanol
    • Cyclohexanepropanol, alpha,beta,2,2,6-pentamethyl-
    • DTXSID90866798
    • .ALPHA.,.BETA.,2,2,6-PENTAMETHYLCYCLOHEXANEPROPANOL
    • iso-Methyltetrahydroionol
    • Methyl tetrahydroionol
    • UNII-W5L6ZT39B7
    • SCHEMBL1472725
    • DTXCID40815039
    • DB-053566
    • NS00013100
    • 3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-ol
    • 3-Methyl-4-(2,2,6-trimethylcyclohexyl)-2-butanol #
    • Q27292342
    • 262-117-5

  • Applications

    alpha,beta,2,2,6-Pentamethylcyclohexanepropanol is primarily used as an intermediate in organic synthesis and as a specialty solvent or co-solvent in formulation work. In perfumery it can function as a fragrance ingredient and, owing to its bulky, low-volatility structure, may act as a fixative. In cosmetics and personal care it may serve as a solvent carrier for active ingredients or as a processing aid in product formulation. It can also function as an additive or processing aid in polymers/plastics and in coatings/inks to adjust solvency and compatibility. In industrial manufacturing it may serve as a precursor to other chemical building blocks used in resin, adhesive, or specialty chemical production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1933.98
    methanol 902.39
    isopropanol 2344.78
    water 0.48
    ethyl acetate 1743.93
    n-propanol 1982.43
    acetone 1924.3
    n-butanol 1787.77
    acetonitrile 1323.26
    DMF 1128.46
    toluene 815.83
    isobutanol 1547.28
    1,4-dioxane 3048.64
    methyl acetate 1352.61
    THF 5404.04
    2-butanone 1812.24
    n-pentanol 757.5
    sec-butanol 1474.62
    n-hexane 273.93
    ethylene glycol 101.15
    NMP 713.26
    cyclohexane 601.03
    DMSO 830.74
    n-butyl acetate 1986.67
    n-octanol 590.41
    chloroform 2396.98
    n-propyl acetate 913.85
    acetic acid 570.71
    dichloromethane 1923.81
    cyclohexanone 1910.77
    propylene glycol 325.86
    isopropyl acetate 1271.47
    DMAc 777.95
    2-ethoxyethanol 742.32
    isopentanol 1598.49
    n-heptane 393.66
    ethyl formate 937.26
    1,2-dichloroethane 1213.38
    n-hexanol 1873.19
    2-methoxyethanol 1534.58
    isobutyl acetate 724.76
    tetrachloromethane 531.5
    n-pentyl acetate 746.31
    transcutol 2419.01
    n-heptanol 717.64
    ethylbenzene 379.58
    MIBK 1015.2
    2-propoxyethanol 1791.31
    tert-butanol 2954.77
    MTBE 3060.49
    2-butoxyethanol 867.48
    propionic acid 724.84
    o-xylene 426.73
    formic acid 91.64
    diethyl ether 2270.62
    m-xylene 604.12
    p-xylene 499.1
    chlorobenzene 778.97
    dimethyl carbonate 274.79
    n-octane 120.51
    formamide 189.11
    cyclopentanone 2175.15
    2-pentanone 1541.8
    anisole 654.25
    cyclopentyl methyl ether 1658.59
    gamma-butyrolactone 1853.08
    1-methoxy-2-propanol 1511.23
    pyridine 1469.06
    3-pentanone 891.73
    furfural 1042.46
    n-dodecane 70.0
    diethylene glycol 670.27
    diisopropyl ether 822.25
    tert-amyl alcohol 1537.61
    acetylacetone 1186.6
    n-hexadecane 81.56
    acetophenone 463.87
    methyl propionate 927.95
    isopentyl acetate 1770.46
    trichloroethylene 1814.26
    n-nonanol 482.65
    cyclohexanol 1219.8
    benzyl alcohol 432.66
    2-ethylhexanol 1102.93
    isooctanol 575.37
    dipropyl ether 1668.96
    1,2-dichlorobenzene 576.85
    ethyl lactate 285.64
    propylene carbonate 994.98
    n-methylformamide 602.35
    2-pentanol 1189.24
    n-pentane 318.46
    1-propoxy-2-propanol 1786.82
    1-methoxy-2-propyl acetate 1402.42
    2-(2-methoxypropoxy) propanol 622.74
    mesitylene 410.15
    ε-caprolactone 1415.42
    p-cymene 393.85
    epichlorohydrin 2079.31
    1,1,1-trichloroethane 1470.26
    2-aminoethanol 401.21
    morpholine-4-carbaldehyde 1081.5
    sulfolane 1285.47
    2,2,4-trimethylpentane 163.88
    2-methyltetrahydrofuran 3089.63
    n-hexyl acetate 1012.94
    isooctane 190.03
    2-(2-butoxyethoxy)ethanol 976.64
    sec-butyl acetate 688.09
    tert-butyl acetate 1391.19
    decalin 178.2
    glycerin 301.74
    diglyme 1582.2
    acrylic acid 369.91
    isopropyl myristate 420.8
    n-butyric acid 1524.82
    acetyl acetate 724.78
    di(2-ethylhexyl) phthalate 299.87
    ethyl propionate 713.58
    nitromethane 987.01
    1,2-diethoxyethane 1438.73
    benzonitrile 672.19
    trioctyl phosphate 275.43
    1-bromopropane 1243.6
    gamma-valerolactone 2215.37
    n-decanol 359.99
    triethyl phosphate 313.29
    4-methyl-2-pentanol 794.93
    propionitrile 1452.64
    vinylene carbonate 805.55
    1,1,2-trichlorotrifluoroethane 756.79
    DMS 478.95
    cumene 283.32
    2-octanol 464.43
    2-hexanone 917.12
    octyl acetate 480.31
    limonene 680.82
    1,2-dimethoxyethane 1601.88
    ethyl orthosilicate 350.65
    tributyl phosphate 312.73
    diacetone alcohol 1063.67
    N,N-dimethylaniline 387.28
    acrylonitrile 991.24
    aniline 826.31
    1,3-propanediol 847.36
    bromobenzene 871.99
    dibromomethane 1506.28
    1,1,2,2-tetrachloroethane 1409.1
    2-methyl-cyclohexyl acetate 704.1
    tetrabutyl urea 356.47
    diisobutyl methanol 662.07
    2-phenylethanol 666.9
    styrene 419.72
    dioctyl adipate 460.46
    dimethyl sulfate 325.64
    ethyl butyrate 1210.88
    methyl lactate 343.99
    butyl lactate 512.99
    diethyl carbonate 588.86
    propanediol butyl ether 697.07
    triethyl orthoformate 726.39
    p-tert-butyltoluene 436.14
    methyl 4-tert-butylbenzoate 561.02
    morpholine 3172.05
    tert-butylamine 2291.19
    n-dodecanol 279.04
    dimethoxymethane 1193.07
    ethylene carbonate 809.41
    cyrene 422.68
    2-ethoxyethyl acetate 802.5
    2-ethylhexyl acetate 1300.29
    1,2,4-trichlorobenzene 627.82
    4-methylpyridine 1459.92
    dibutyl ether 970.1
    2,6-dimethyl-4-heptanol 662.07
    DEF 1015.51
    dimethyl isosorbide 1041.17
    tetrachloroethylene 825.73
    eugenol 431.22
    triacetin 594.88
    span 80 630.3
    1,4-butanediol 199.32
    1,1-dichloroethane 1672.92
    2-methyl-1-pentanol 632.32
    methyl formate 460.85
    2-methyl-1-butanol 1143.02
    n-decane 140.48
    butyronitrile 1918.89
    3,7-dimethyl-1-octanol 642.61
    1-chlorooctane 462.82
    1-chlorotetradecane 160.05
    n-nonane 150.9
    undecane 95.13
    tert-butylcyclohexane 196.67
    cyclooctane 199.94
    cyclopentanol 1287.22
    tetrahydropyran 3797.14
    tert-amyl methyl ether 1294.2
    2,5,8-trioxanonane 910.03
    1-hexene 757.47
    2-isopropoxyethanol 636.23
    2,2,2-trifluoroethanol 160.31
    methyl butyrate 945.66

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.096 % Category 7A
Rinse-off products applied to the hair with some hand contact
 2.7 %
Category 2
Products applied to the axillae
 0.071 % Category 7B
Leave-on products applied to the hair with some hand contact
 2.7 %
Category 3
Products applied to the face/body using fingertips
 1.4 % Category 8
Products with significant anogenital exposure
 0.032 %
Category 4
Products related to fine fragrance
 1.3 % Category 9
Products with body and hand exposure, primarily rinse off
 2.6 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.34 % Category 10A
Household care products with mostly hand contact
 3.4 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.34 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 9.3 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.096 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.032 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.032 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.032 %
Category 6
Products with oral and lip exposure
 0.096 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction