Cyclohexaneethanol, 4-(1-methylethyl)-

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  • Identifiers

    CAS number
    3650-46-2

    Molecular formula
    C11H22O

    SMILES
    CC(C)C1CCC(CC1)CCO

    Safety labels

  • Odor profile

    Fragrance
    Floral 87.76%
    Rose 63.29%
    Muguet 58.17%
    Lily 55.25%
    Green 54.34%
    Fresh 50.8%
    Woody 48.14%
    Clean 47.23%
    Waxy 38.13%
    Herbal 36.99%

     

    Flavor
    Herbal 40.5%
    Fruity 35.61%
    Herb 35.36%
    Green 34.47%
    Sweet 31.43%
    Musty 29.57%
    Fresh 26.82%
    Woody 26.61%
    Minty 25.92%
    Fruit 25.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    9.11 (weak base)

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 108.95 ˚C est.

  • Synonyms

    • Cyclohexaneethanol, 4-(1-methylethyl)-
    • RefChem:580558
    • 2-(4-Isopropylcyclohexyl)ethanol
    • 3650-46-2
    • 2-(4-propan-2-ylcyclohexyl)ethanol
    • 2-((1r,4r)-4-Isopropylcyclohexyl)ethanol
    • 2-[4-(propan-2-yl)cyclohexyl]ethan-1-ol
    • 2806846-40-0
    • Cyclohexaneethanol, 4-isopropyl-
    • EINECS 222-888-0
    • SCHEMBL196413
    • DTXSID10190002
    • FTTYJFVOMWMPJO-UHFFFAOYSA-N
    • NS00012731
    • EN300-1671209
    • A1-31687
    • 3650-46-2

  • Applications

    Cyclohexaneethanol, 4-(1-methylethyl)- (CAS number: 3650-46-2) is used primarily as a solvent and synthesis intermediate in industrial production; in the fragrance and cosmetics sector, it is commonly employed as a fragrance ingredient and may function as a fixative to help preserve aroma. In coatings, inks, and related applications, it provides solvent and processing aid for resins, plastics, and coatings formulations. In the polymers/plastics field, it can be used as a processing aid or plasticizer. In cleaning formulations, it can serve as a solvent and fragrance component. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5301.51
    methanol 3563.54
    isopropanol 6036.92
    water 0.35
    ethyl acetate 4026.77
    n-propanol 5084.41
    acetone 4998.25
    n-butanol 4633.15
    acetonitrile 3113.69
    DMF 1891.86
    toluene 856.42
    isobutanol 3382.72
    1,4-dioxane 5578.25
    methyl acetate 2573.74
    THF 7707.57
    2-butanone 3248.0
    n-pentanol 1802.09
    sec-butanol 2961.2
    n-hexane 589.69
    ethylene glycol 280.02
    NMP 811.15
    cyclohexane 1106.32
    DMSO 2403.97
    n-butyl acetate 2859.8
    n-octanol 505.27
    chloroform 3843.11
    n-propyl acetate 1705.05
    acetic acid 1528.36
    dichloromethane 2950.99
    cyclohexanone 3262.87
    propylene glycol 580.43
    isopropyl acetate 2210.42
    DMAc 730.93
    2-ethoxyethanol 1757.22
    isopentanol 3184.23
    n-heptane 460.43
    ethyl formate 1658.51
    1,2-dichloroethane 2718.83
    n-hexanol 2995.75
    2-methoxyethanol 3836.96
    isobutyl acetate 907.99
    tetrachloromethane 1007.85
    n-pentyl acetate 852.25
    transcutol 3841.73
    n-heptanol 767.01
    ethylbenzene 325.46
    MIBK 1524.83
    2-propoxyethanol 3297.78
    tert-butanol 6272.28
    MTBE 5032.85
    2-butoxyethanol 1194.12
    propionic acid 1701.62
    o-xylene 402.01
    formic acid 286.09
    diethyl ether 5664.42
    m-xylene 578.46
    p-xylene 388.68
    chlorobenzene 970.88
    dimethyl carbonate 317.04
    n-octane 115.14
    formamide 522.47
    cyclopentanone 3154.89
    2-pentanone 3286.93
    anisole 633.26
    cyclopentyl methyl ether 2906.09
    gamma-butyrolactone 2855.52
    1-methoxy-2-propanol 2847.95
    pyridine 2334.45
    3-pentanone 1708.7
    furfural 1497.99
    n-dodecane 54.53
    diethylene glycol 1316.16
    diisopropyl ether 1418.07
    tert-amyl alcohol 2664.09
    acetylacetone 1788.3
    n-hexadecane 63.87
    acetophenone 431.79
    methyl propionate 1777.02
    isopentyl acetate 2032.11
    trichloroethylene 3114.37
    n-nonanol 425.35
    cyclohexanol 2431.55
    benzyl alcohol 506.37
    2-ethylhexanol 1240.25
    isooctanol 578.63
    dipropyl ether 2708.83
    1,2-dichlorobenzene 660.18
    ethyl lactate 357.62
    propylene carbonate 1304.43
    n-methylformamide 1619.18
    2-pentanol 2699.7
    n-pentane 682.09
    1-propoxy-2-propanol 2507.54
    1-methoxy-2-propyl acetate 1716.46
    2-(2-methoxypropoxy) propanol 527.3
    mesitylene 389.27
    ε-caprolactone 2195.02
    p-cymene 284.51
    epichlorohydrin 3344.58
    1,1,1-trichloroethane 2666.1
    2-aminoethanol 1098.98
    morpholine-4-carbaldehyde 1474.26
    sulfolane 1796.58
    2,2,4-trimethylpentane 182.48
    2-methyltetrahydrofuran 4912.09
    n-hexyl acetate 932.62
    isooctane 231.32
    2-(2-butoxyethoxy)ethanol 1032.07
    sec-butyl acetate 991.41
    tert-butyl acetate 2016.47
    decalin 190.82
    glycerin 544.09
    diglyme 2078.69
    acrylic acid 803.35
    isopropyl myristate 318.89
    n-butyric acid 3757.93
    acetyl acetate 1096.91
    di(2-ethylhexyl) phthalate 206.36
    ethyl propionate 1164.92
    nitromethane 2162.46
    1,2-diethoxyethane 2585.6
    benzonitrile 802.68
    trioctyl phosphate 193.86
    1-bromopropane 2388.98
    gamma-valerolactone 3472.66
    n-decanol 318.27
    triethyl phosphate 325.94
    4-methyl-2-pentanol 1171.68
    propionitrile 3266.37
    vinylene carbonate 974.9
    1,1,2-trichlorotrifluoroethane 1317.81
    DMS 416.25
    cumene 216.92
    2-octanol 427.38
    2-hexanone 1498.34
    octyl acetate 366.63
    limonene 592.22
    1,2-dimethoxyethane 3324.45
    ethyl orthosilicate 390.33
    tributyl phosphate 258.06
    diacetone alcohol 1490.09
    N,N-dimethylaniline 308.45
    acrylonitrile 2169.88
    aniline 1206.84
    1,3-propanediol 2301.25
    bromobenzene 965.02
    dibromomethane 2483.39
    1,1,2,2-tetrachloroethane 2506.17
    2-methyl-cyclohexyl acetate 616.14
    tetrabutyl urea 256.67
    diisobutyl methanol 721.58
    2-phenylethanol 751.77
    styrene 412.42
    dioctyl adipate 334.77
    dimethyl sulfate 331.43
    ethyl butyrate 1612.3
    methyl lactate 462.81
    butyl lactate 536.42
    diethyl carbonate 704.92
    propanediol butyl ether 634.8
    triethyl orthoformate 907.35
    p-tert-butyltoluene 308.47
    methyl 4-tert-butylbenzoate 396.88
    morpholine 6117.5
    tert-butylamine 4757.53
    n-dodecanol 239.3
    dimethoxymethane 2103.86
    ethylene carbonate 1084.45
    cyrene 332.39
    2-ethoxyethyl acetate 952.97
    2-ethylhexyl acetate 1373.38
    1,2,4-trichlorobenzene 689.47
    4-methylpyridine 1967.72
    dibutyl ether 1157.9
    2,6-dimethyl-4-heptanol 721.58
    DEF 1775.03
    dimethyl isosorbide 868.26
    tetrachloroethylene 1835.48
    eugenol 339.64
    triacetin 497.83
    span 80 548.18
    1,4-butanediol 504.49
    1,1-dichloroethane 3761.4
    2-methyl-1-pentanol 1070.43
    methyl formate 914.78
    2-methyl-1-butanol 2289.93
    n-decane 117.63
    butyronitrile 4159.22
    3,7-dimethyl-1-octanol 573.76
    1-chlorooctane 404.34
    1-chlorotetradecane 128.61
    n-nonane 127.05
    undecane 76.51
    tert-butylcyclohexane 196.7
    cyclooctane 265.37
    cyclopentanol 2363.2
    tetrahydropyran 7313.76
    tert-amyl methyl ether 1934.85
    2,5,8-trioxanonane 958.93
    1-hexene 1567.52
    2-isopropoxyethanol 1164.75
    2,2,2-trifluoroethanol 332.93
    methyl butyrate 1578.47

    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