1-Methyl-3-(2-methylpropyl)cyclohexanol

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  • Identifiers

    CAS number
    215231-33-7

    Molecular formula
    C11H22O

    SMILES
    CC(C)CC1CCCC(C1)(C)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 78.07%
    Lily 46.32%
    Muguet 46.1%
    Citrus 46.1%
    Herbal 45.18%
    Fresh 44.52%
    Woody 42.88%
    Rose 42.19%
    Mint 40.18%
    Clean 39.13%

     

    Flavor
    Woody 46.93%
    Minty 36.6%
    Green 34.81%
    Earthy 33.73%
    Musty 30.97%
    Spice 28.4%
    Herbal 28.06%
    Herb 27.97%
    Sweet 27.74%
    Mild 27.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.79 (weak base)

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    225°C

    Flash point

    • 96.9 ˚C est.

  • Synonyms

    • Cyclohexanol, 1-methyl-3-(2-methylpropyl)-
    • 215231-33-7
    • DTXSID6051483
    • 1-methyl-3-(2-methylpropyl)cyclohexanol
    • SCHEMBL1153334
    • DTXCID4030419
    • AKOS025296224
    • 1-methyl-3-(2-methylpropyl) cyclohexanol
    • 1-methyl-3-(2-methylpropyl)-cyclohexanol
    • 1-methyl-3-(2-methylpropyl)cyclohexan-1-ol
    • 1-methyl-3-(2-methypropyl)cyclohexan-1-ol
    • NS00020276
    • 434-380-8
    • 639-024-7
    • 926-635-1

  • Applications

    1-Methyl-3-(2-methylpropyl)cyclohexanol (CAS 215231-33-7) is primarily used as an intermediate in the synthesis of fragrance compounds for the perfume and fragrance sector; it is also employed as a component or light solvent in cosmetics and personal care; it appears in household products as a fragrance ingredient or processing solvent for cleaning formulations; in industrial manufacturing it can serve as an intermediate or processing solvent; in the coatings and inks sector it can be used as a solvent or fragrance additive; and as a building block for polymers, plastics, or related materials to support plastics formulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2317.73
    methanol 2014.85
    isopropanol 2290.61
    water 0.62
    ethyl acetate 1190.42
    n-propanol 1815.26
    acetone 1518.32
    n-butanol 1945.66
    acetonitrile 1100.25
    DMF 904.84
    toluene 497.7
    isobutanol 1430.78
    1,4-dioxane 2410.21
    methyl acetate 887.93
    THF 4338.63
    2-butanone 1125.48
    n-pentanol 991.55
    sec-butanol 1390.25
    n-hexane 593.93
    ethylene glycol 173.33
    NMP 621.89
    cyclohexane 758.81
    DMSO 867.13
    n-butyl acetate 1706.69
    n-octanol 795.23
    chloroform 1844.35
    n-propyl acetate 704.54
    acetic acid 736.47
    dichloromethane 1274.9
    cyclohexanone 1530.76
    propylene glycol 458.26
    isopropyl acetate 857.59
    DMAc 519.0
    2-ethoxyethanol 727.61
    isopentanol 1606.43
    n-heptane 747.89
    ethyl formate 715.18
    1,2-dichloroethane 762.45
    n-hexanol 2570.64
    2-methoxyethanol 1493.87
    isobutyl acetate 535.61
    tetrachloromethane 358.2
    n-pentyl acetate 643.07
    transcutol 2284.17
    n-heptanol 849.54
    ethylbenzene 271.46
    MIBK 761.92
    2-propoxyethanol 2085.77
    tert-butanol 2437.34
    MTBE 1996.09
    2-butoxyethanol 937.75
    propionic acid 717.08
    o-xylene 296.7
    formic acid 158.95
    diethyl ether 1788.09
    m-xylene 389.94
    p-xylene 349.69
    chlorobenzene 484.37
    dimethyl carbonate 180.34
    n-octane 183.61
    formamide 180.6
    cyclopentanone 1530.58
    2-pentanone 1160.7
    anisole 447.62
    cyclopentyl methyl ether 1341.96
    gamma-butyrolactone 1338.33
    1-methoxy-2-propanol 1393.37
    pyridine 971.85
    3-pentanone 659.0
    furfural 813.24
    n-dodecane 121.97
    diethylene glycol 784.37
    diisopropyl ether 656.64
    tert-amyl alcohol 1377.46
    acetylacetone 784.09
    n-hexadecane 136.57
    acetophenone 318.29
    methyl propionate 649.03
    isopentyl acetate 1403.0
    trichloroethylene 1086.16
    n-nonanol 637.5
    cyclohexanol 1341.97
    benzyl alcohol 332.73
    2-ethylhexanol 1391.72
    isooctanol 612.7
    dipropyl ether 1843.94
    1,2-dichlorobenzene 357.76
    ethyl lactate 249.75
    propylene carbonate 763.71
    n-methylformamide 539.34
    2-pentanol 1247.68
    n-pentane 532.72
    1-propoxy-2-propanol 1774.15
    1-methoxy-2-propyl acetate 1098.82
    2-(2-methoxypropoxy) propanol 624.3
    mesitylene 296.92
    ε-caprolactone 1160.91
    p-cymene 340.87
    epichlorohydrin 1349.96
    1,1,1-trichloroethane 836.67
    2-aminoethanol 555.25
    morpholine-4-carbaldehyde 957.82
    sulfolane 958.94
    2,2,4-trimethylpentane 195.56
    2-methyltetrahydrofuran 2407.51
    n-hexyl acetate 977.24
    isooctane 213.29
    2-(2-butoxyethoxy)ethanol 971.5
    sec-butyl acetate 492.3
    tert-butyl acetate 918.97
    decalin 220.41
    glycerin 405.13
    diglyme 1400.11
    acrylic acid 361.98
    isopropyl myristate 399.05
    n-butyric acid 1522.49
    acetyl acetate 489.92
    di(2-ethylhexyl) phthalate 296.62
    ethyl propionate 547.55
    nitromethane 790.74
    1,2-diethoxyethane 1258.95
    benzonitrile 531.23
    trioctyl phosphate 276.9
    1-bromopropane 985.82
    gamma-valerolactone 1701.46
    n-decanol 468.36
    triethyl phosphate 258.39
    4-methyl-2-pentanol 761.58
    propionitrile 1149.11
    vinylene carbonate 565.53
    1,1,2-trichlorotrifluoroethane 663.63
    DMS 357.57
    cumene 212.69
    2-octanol 536.13
    2-hexanone 778.86
    octyl acetate 489.29
    limonene 683.32
    1,2-dimethoxyethane 1489.78
    ethyl orthosilicate 288.63
    tributyl phosphate 313.55
    diacetone alcohol 824.3
    N,N-dimethylaniline 289.14
    acrylonitrile 790.49
    aniline 564.41
    1,3-propanediol 941.17
    bromobenzene 496.89
    dibromomethane 1136.24
    1,1,2,2-tetrachloroethane 934.68
    2-methyl-cyclohexyl acetate 617.41
    tetrabutyl urea 366.65
    diisobutyl methanol 655.66
    2-phenylethanol 642.77
    styrene 298.7
    dioctyl adipate 432.51
    dimethyl sulfate 195.37
    ethyl butyrate 904.34
    methyl lactate 293.66
    butyl lactate 478.47
    diethyl carbonate 426.39
    propanediol butyl ether 783.15
    triethyl orthoformate 599.09
    p-tert-butyltoluene 364.77
    methyl 4-tert-butylbenzoate 418.41
    morpholine 2525.83
    tert-butylamine 1979.02
    n-dodecanol 368.68
    dimethoxymethane 999.86
    ethylene carbonate 604.05
    cyrene 361.51
    2-ethoxyethyl acetate 653.77
    2-ethylhexyl acetate 1082.4
    1,2,4-trichlorobenzene 387.71
    4-methylpyridine 962.12
    dibutyl ether 1023.22
    2,6-dimethyl-4-heptanol 655.66
    DEF 780.97
    dimethyl isosorbide 875.0
    tetrachloroethylene 589.96
    eugenol 362.81
    triacetin 522.34
    span 80 740.68
    1,4-butanediol 275.66
    1,1-dichloroethane 1099.67
    2-methyl-1-pentanol 717.53
    methyl formate 373.35
    2-methyl-1-butanol 1174.01
    n-decane 224.21
    butyronitrile 1655.16
    3,7-dimethyl-1-octanol 745.46
    1-chlorooctane 493.48
    1-chlorotetradecane 199.88
    n-nonane 242.35
    undecane 158.75
    tert-butylcyclohexane 233.77
    cyclooctane 267.98
    cyclopentanol 1277.07
    tetrahydropyran 3061.71
    tert-amyl methyl ether 1064.87
    2,5,8-trioxanonane 893.7
    1-hexene 1077.02
    2-isopropoxyethanol 562.3
    2,2,2-trifluoroethanol 139.27
    methyl butyrate 705.91

    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