Cyclohexaneethanol, beta-methyl-4-(1-methylethyl)-

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  • Identifiers

    CAS number
    67634-03-1

    Molecular formula
    C12H24O

    SMILES
    CC(C)C1CCC(CC1)C(C)CO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 73.48%
    Woody 50.78%
    Muguet 45.56%
    Green 45.03%
    Rose 43.44%
    Lily 42.99%
    Fresh 38.87%
    Herbal 38.45%
    Clean 33.91%
    Waxy 33.77%

     

    Flavor
    Herbal 42.87%
    Herb 39.78%
    Fruity 35.2%
    Green 29.47%
    Musty 26.79%
    Woody 25.96%
    Fresh 25.7%
    Minty 25.4%
    Citrus 24.09%
    Mild 24.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    9.34 (weak base)

    Molecular weight
    184.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point

    • 116.62 ˚C est.

  • Synonyms

    • 67634-03-1
    • Cyclohexaneethanol, beta-methyl-4-(1-methylethyl)-
    • EINECS 266-806-1
    • 2-(4-propan-2-ylcyclohexyl)propan-1-ol
    • Cyclohexaneethanol, .beta.-methyl-4-(1-methylethyl)-
    • 4-(Isopropyl)-beta-methylcyclohexaneethanol
    • SCHEMBL9496745
    • DTXSID3052355
    • XZAQOBPFWUNKMM-UHFFFAOYSA-N
    • 2-[4-(propan-2-yl)cyclohexyl]propan-1-ol
    • NS00012751
    • 2-(4-ISOPROPYLCYCLOHEXYL)PROPAN-1-OL

  • Applications

    Cyclohexaneethanol, beta-methyl-4-(1-methylethyl)- (CAS 67634-03-1) is primarily used as a chemical intermediate and building block in fragrance chemistry, where it can serve as a precursor to aroma materials and contribute to fragrance notes as an odorant or fixative. It may also function as a solvent or co-solvent in industrial manufacturing and formulation work, and as a processing aid in coatings, inks, and plastics. Additionally, the compound can be employed as a structural unit in the synthesis of cosmetic and personal-care ingredients, and may appear in cleaning formulations where an alcohol-functional component aids solvation, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2692.94
    methanol 2023.66
    isopropanol 2914.13
    water 0.61
    ethyl acetate 2972.63
    n-propanol 2629.02
    acetone 3015.4
    n-butanol 2673.51
    acetonitrile 1886.52
    DMF 1339.2
    toluene 755.32
    isobutanol 1826.96
    1,4-dioxane 4193.31
    methyl acetate 1826.03
    THF 5100.36
    2-butanone 2095.3
    n-pentanol 1009.9
    sec-butanol 1591.45
    n-hexane 491.91
    ethylene glycol 153.42
    NMP 639.88
    cyclohexane 1038.92
    DMSO 1221.49
    n-butyl acetate 2424.11
    n-octanol 390.76
    chloroform 3121.75
    n-propyl acetate 1327.8
    acetic acid 1159.37
    dichloromethane 2276.71
    cyclohexanone 2336.09
    propylene glycol 275.33
    isopropyl acetate 1915.21
    DMAc 679.05
    2-ethoxyethanol 1230.85
    isopentanol 2133.16
    n-heptane 352.6
    ethyl formate 1191.86
    1,2-dichloroethane 2172.74
    n-hexanol 1878.24
    2-methoxyethanol 2355.58
    isobutyl acetate 814.62
    tetrachloromethane 950.22
    n-pentyl acetate 801.79
    transcutol 3489.31
    n-heptanol 571.41
    ethylbenzene 302.38
    MIBK 1247.96
    2-propoxyethanol 2319.69
    tert-butanol 3884.89
    MTBE 4690.62
    2-butoxyethanol 1005.51
    propionic acid 1070.68
    o-xylene 400.57
    formic acid 218.32
    diethyl ether 4535.57
    m-xylene 547.53
    p-xylene 381.23
    chlorobenzene 884.47
    dimethyl carbonate 305.95
    n-octane 102.75
    formamide 401.84
    cyclopentanone 2160.93
    2-pentanone 2256.91
    anisole 588.92
    cyclopentyl methyl ether 2081.1
    gamma-butyrolactone 2011.98
    1-methoxy-2-propanol 1796.48
    pyridine 1724.1
    3-pentanone 1330.23
    furfural 1275.24
    n-dodecane 45.69
    diethylene glycol 957.1
    diisopropyl ether 1399.07
    tert-amyl alcohol 1914.9
    acetylacetone 1476.31
    n-hexadecane 54.73
    acetophenone 411.64
    methyl propionate 1298.85
    isopentyl acetate 1920.08
    trichloroethylene 2577.78
    n-nonanol 345.95
    cyclohexanol 1537.39
    benzyl alcohol 409.03
    2-ethylhexanol 927.85
    isooctanol 484.56
    dipropyl ether 2108.65
    1,2-dichlorobenzene 693.64
    ethyl lactate 307.82
    propylene carbonate 1069.59
    n-methylformamide 1036.64
    2-pentanol 1645.06
    n-pentane 611.1
    1-propoxy-2-propanol 1820.45
    1-methoxy-2-propyl acetate 1540.29
    2-(2-methoxypropoxy) propanol 508.69
    mesitylene 402.6
    ε-caprolactone 1703.25
    p-cymene 281.38
    epichlorohydrin 2377.61
    1,1,1-trichloroethane 2374.68
    2-aminoethanol 549.05
    morpholine-4-carbaldehyde 1201.94
    sulfolane 1362.39
    2,2,4-trimethylpentane 196.33
    2-methyltetrahydrofuran 2977.33
    n-hexyl acetate 819.63
    isooctane 237.84
    2-(2-butoxyethoxy)ethanol 937.25
    sec-butyl acetate 918.39
    tert-butyl acetate 1940.05
    decalin 195.19
    glycerin 328.93
    diglyme 1871.07
    acrylic acid 564.82
    isopropyl myristate 302.57
    n-butyric acid 2488.26
    acetyl acetate 1117.23
    di(2-ethylhexyl) phthalate 202.65
    ethyl propionate 1003.17
    nitromethane 1592.79
    1,2-diethoxyethane 2264.29
    benzonitrile 671.2
    trioctyl phosphate 180.91
    1-bromopropane 1750.84
    gamma-valerolactone 2542.44
    n-decanol 248.23
    triethyl phosphate 333.02
    4-methyl-2-pentanol 903.73
    propionitrile 2041.15
    vinylene carbonate 877.72
    1,1,2-trichlorotrifluoroethane 1075.65
    DMS 440.81
    cumene 224.66
    2-octanol 330.54
    2-hexanone 1091.32
    octyl acetate 331.76
    limonene 516.27
    1,2-dimethoxyethane 2532.43
    ethyl orthosilicate 415.47
    tributyl phosphate 252.02
    diacetone alcohol 1227.99
    N,N-dimethylaniline 315.09
    acrylonitrile 1495.34
    aniline 952.51
    1,3-propanediol 1351.69
    bromobenzene 926.0
    dibromomethane 1929.78
    1,1,2,2-tetrachloroethane 2136.08
    2-methyl-cyclohexyl acetate 593.7
    tetrabutyl urea 243.15
    diisobutyl methanol 624.73
    2-phenylethanol 653.91
    styrene 371.44
    dioctyl adipate 327.46
    dimethyl sulfate 327.48
    ethyl butyrate 1421.71
    methyl lactate 361.09
    butyl lactate 495.32
    diethyl carbonate 699.87
    propanediol butyl ether 518.12
    triethyl orthoformate 930.35
    p-tert-butyltoluene 305.57
    methyl 4-tert-butylbenzoate 430.13
    morpholine 4176.46
    tert-butylamine 3195.99
    n-dodecanol 185.34
    dimethoxymethane 1573.84
    ethylene carbonate 947.69
    cyrene 320.52
    2-ethoxyethyl acetate 951.36
    2-ethylhexyl acetate 1316.88
    1,2,4-trichlorobenzene 703.08
    4-methylpyridine 1550.76
    dibutyl ether 917.26
    2,6-dimethyl-4-heptanol 624.73
    DEF 1448.71
    dimethyl isosorbide 857.07
    tetrachloroethylene 1706.12
    eugenol 356.73
    triacetin 499.18
    span 80 471.41
    1,4-butanediol 301.3
    1,1-dichloroethane 2688.45
    2-methyl-1-pentanol 751.69
    methyl formate 611.66
    2-methyl-1-butanol 1504.97
    n-decane 100.51
    butyronitrile 2501.53
    3,7-dimethyl-1-octanol 478.79
    1-chlorooctane 343.73
    1-chlorotetradecane 110.68
    n-nonane 106.27
    undecane 64.84
    tert-butylcyclohexane 199.64
    cyclooctane 262.43
    cyclopentanol 1334.41
    tetrahydropyran 5030.62
    tert-amyl methyl ether 1804.57
    2,5,8-trioxanonane 879.44
    1-hexene 1077.7
    2-isopropoxyethanol 874.69
    2,2,2-trifluoroethanol 328.19
    methyl butyrate 1266.12

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.26 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.26 %
Category 2
Products applied to the axillae
 0.39 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.26 %
Category 3
Products applied to the face/body using fingertips
 0.26 % Category 8
Products with significant anogenital exposure
 0.086 %
Category 4
Products related to fine fragrance
 6.4 % Category 9
Products with body and hand exposure, primarily rinse off
 4.9 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.52 % Category 10A
Household care products with mostly hand contact
 4.9 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.26 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 1 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.26 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.086 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.086 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.086 %
Category 6
Products with oral and lip exposure
 0.26 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 20 %