2-Cyclohexylethanol

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  • Identifiers

    CAS number
    4442-79-9

    Molecular formula
    C8H16O

    SMILES
    C1CCC(CC1)CCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 80.8%
    Green 69.46%
    Rose 65.93%
    Fresh 56.66%
    Clean 51.38%
    Muguet 47.49%
    Waxy 46.34%
    Lily 44.19%
    Woody 37.63%
    Oily 35.34%

     

    Flavor
    Fruit 30.48%
    Green 30.4%
    Fruity 30.12%
    Sweet 28.81%
    Rose 28.69%
    Musty 26.13%
    Herbal 25.09%
    Earthy 24.49%
    Plant 22.66%
    Terpenic 22.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.48 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    208°C

    Flash point

    • 94.32 ˚C est.

  • Synonyms

    • 2-Cyclohexylethanol
    • 4442-79-9
    • CYCLOHEXANEETHANOL
    • Cyclohexylethanol
    • 2-Cyclohexylethan-1-Ol
    • Cyclohexylethyl alcohol
    • Ethanol, 2-cyclohexyl-
    • Hexahydrophenylethyl alcohol
    • (2-Hydroxyethyl)cyclohexane
    • .beta.-Cyclohexylethyl alcohol
    • 2-cyclohexyl-ethanol
    • NSC 30157
    • 2-cyclohexyl-1-ethanol
    • 2-Cyclohexylethyl alcohol
    • UNII-653AOK9PUO
    • EINECS 224-672-1
    • 653AOK9PUO
    • BRN 1848152
    • AI3-03883
    • MFCD00001525
    • NSC-30157
    • .beta.-Cyclohexyl ethanol
    • 2-CYCLOHEXANEETHANOL
    • DTXSID7063473
    • QJQZRLXDLORINA-UHFFFAOYSA-
    • 4-06-00-00119 (Beilstein Handbook Reference)
    • Cyclohexane-ethanol
    • 2Cyclohexylethan1ol
    • 2-cyclohexyl ethanol
    • Ethanol, 2cyclohexyl
    • 2-(cyclohexyl)ethanol
    • beta-Cyclohexyl ethanol
    • beta-Cyclohexylethyl alcohol
    • 2-Cyclohexylethanol, 99%
    • WLN: L6TJ A2Q
    • SCHEMBL21471
    • CYCLOHEXYLETHANOL [INCI]
    • DTXCID6040327
    • BCP30902
    • NSC30157
    • AC8984
    • AKOS005207193
    • AS-57103
    • SY011885
    • DB-013297
    • CS-0072235
    • NS00012163
    • EN300-91550
    • Q27263819
    • F0001-1210
    • Z397587116
    • Cyclohexylethanol;Cyclohexylethyl alcohol;(2-Hydroxyethyl)cyclohexane

  • Applications

    2-Cyclohexylethanol (CAS 4442-79-9) is primarily used as an intermediate and a specialty building block in chemical synthesis. In perfumery and fragrance applications, it serves as a precursor for aroma compounds and may be used as an odorant or a fixative. It is also employed as a solvent or co-solvent in coatings, inks, and cleaning formulations due to its moderate polarity and hydroxyl functionality. In industrial manufacturing and polymer chemistry, it can act as a precursor for ester or ether derivatives and as a starting material for specialty polymers or additives. In cosmetics and personal care, it may function as a fragrance solvent or solubilizer in formulations. In pharmaceuticals, it is commonly evaluated as an intermediate in the synthesis of more complex molecules, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4184.91
    methanol 2304.44
    isopropanol 4430.54
    water 0.85
    ethyl acetate 1723.22
    n-propanol 3860.96
    acetone 2917.32
    n-butanol 3559.01
    acetonitrile 2251.73
    DMF 2046.0
    toluene 473.98
    isobutanol 2585.06
    1,4-dioxane 3043.5
    methyl acetate 1392.72
    THF 4716.21
    2-butanone 1766.91
    n-pentanol 1307.47
    sec-butanol 2425.95
    n-hexane 253.76
    ethylene glycol 517.4
    NMP 1199.32
    cyclohexane 632.07
    DMSO 3598.19
    n-butyl acetate 1529.46
    n-octanol 468.46
    chloroform 4266.98
    n-propyl acetate 803.31
    acetic acid 1862.3
    dichloromethane 3952.85
    cyclohexanone 2584.14
    propylene glycol 920.25
    isopropyl acetate 826.67
    DMAc 594.59
    2-ethoxyethanol 1001.5
    isopentanol 2109.98
    n-heptane 431.62
    ethyl formate 1354.57
    1,2-dichloroethane 2372.98
    n-hexanol 1999.7
    2-methoxyethanol 2856.97
    isobutyl acetate 425.7
    tetrachloromethane 821.54
    n-pentyl acetate 541.63
    transcutol 2077.8
    n-heptanol 673.94
    ethylbenzene 198.94
    MIBK 718.11
    2-propoxyethanol 1875.08
    tert-butanol 3468.73
    MTBE 1395.34
    2-butoxyethanol 907.59
    propionic acid 2079.93
    o-xylene 247.33
    formic acid 388.19
    diethyl ether 1810.53
    m-xylene 307.68
    p-xylene 233.63
    chlorobenzene 890.56
    dimethyl carbonate 270.0
    n-octane 102.01
    formamide 638.4
    cyclopentanone 3018.23
    2-pentanone 1618.12
    anisole 416.58
    cyclopentyl methyl ether 1673.56
    gamma-butyrolactone 3237.82
    1-methoxy-2-propanol 2107.32
    pyridine 2041.25
    3-pentanone 880.88
    furfural 1736.67
    n-dodecane 52.72
    diethylene glycol 1021.03
    diisopropyl ether 428.9
    tert-amyl alcohol 1611.51
    acetylacetone 1124.5
    n-hexadecane 60.52
    acetophenone 345.03
    methyl propionate 1072.58
    isopentyl acetate 1006.79
    trichloroethylene 3227.53
    n-nonanol 379.14
    cyclohexanol 2174.12
    benzyl alcohol 400.39
    2-ethylhexanol 948.58
    isooctanol 478.09
    dipropyl ether 1584.97
    1,2-dichlorobenzene 655.03
    ethyl lactate 301.91
    propylene carbonate 1537.0
    n-methylformamide 1728.27
    2-pentanol 1808.35
    n-pentane 364.0
    1-propoxy-2-propanol 1667.2
    1-methoxy-2-propyl acetate 845.33
    2-(2-methoxypropoxy) propanol 398.59
    mesitylene 196.37
    ε-caprolactone 1817.48
    p-cymene 224.3
    epichlorohydrin 3025.71
    1,1,1-trichloroethane 1995.54
    2-aminoethanol 1423.46
    morpholine-4-carbaldehyde 1358.5
    sulfolane 2696.35
    2,2,4-trimethylpentane 94.38
    2-methyltetrahydrofuran 3105.44
    n-hexyl acetate 627.57
    isooctane 103.59
    2-(2-butoxyethoxy)ethanol 755.44
    sec-butyl acetate 410.24
    tert-butyl acetate 724.28
    decalin 119.47
    glycerin 832.32
    diglyme 1423.68
    acrylic acid 1239.22
    isopropyl myristate 237.41
    n-butyric acid 3187.46
    acetyl acetate 676.81
    di(2-ethylhexyl) phthalate 187.12
    ethyl propionate 614.4
    nitromethane 2582.02
    1,2-diethoxyethane 1026.42
    benzonitrile 760.31
    trioctyl phosphate 188.35
    1-bromopropane 1819.88
    gamma-valerolactone 2897.28
    n-decanol 280.18
    triethyl phosphate 240.13
    4-methyl-2-pentanol 676.47
    propionitrile 2283.52
    vinylene carbonate 1200.39
    1,1,2-trichlorotrifluoroethane 1379.69
    DMS 322.09
    cumene 139.04
    2-octanol 374.75
    2-hexanone 793.12
    octyl acetate 300.05
    limonene 455.58
    1,2-dimethoxyethane 1617.41
    ethyl orthosilicate 250.57
    tributyl phosphate 222.58
    diacetone alcohol 910.38
    N,N-dimethylaniline 215.28
    acrylonitrile 2075.17
    aniline 810.78
    1,3-propanediol 2254.33
    bromobenzene 841.17
    dibromomethane 3001.72
    1,1,2,2-tetrachloroethane 2447.09
    2-methyl-cyclohexyl acetate 426.5
    tetrabutyl urea 264.97
    diisobutyl methanol 500.13
    2-phenylethanol 527.04
    styrene 278.82
    dioctyl adipate 301.6
    dimethyl sulfate 363.24
    ethyl butyrate 976.45
    methyl lactate 455.56
    butyl lactate 433.88
    diethyl carbonate 477.62
    propanediol butyl ether 635.11
    triethyl orthoformate 555.2
    p-tert-butyltoluene 213.51
    methyl 4-tert-butylbenzoate 358.28
    morpholine 3870.43
    tert-butylamine 2222.44
    n-dodecanol 213.93
    dimethoxymethane 1277.56
    ethylene carbonate 1218.63
    cyrene 316.93
    2-ethoxyethyl acetate 555.94
    2-ethylhexyl acetate 697.54
    1,2,4-trichlorobenzene 670.13
    4-methylpyridine 1378.92
    dibutyl ether 685.64
    2,6-dimethyl-4-heptanol 500.13
    DEF 1213.0
    dimethyl isosorbide 687.07
    tetrachloroethylene 1670.27
    eugenol 323.3
    triacetin 385.87
    span 80 537.54
    1,4-butanediol 527.03
    1,1-dichloroethane 2753.35
    2-methyl-1-pentanol 728.96
    methyl formate 964.44
    2-methyl-1-butanol 1724.78
    n-decane 99.14
    butyronitrile 2642.31
    3,7-dimethyl-1-octanol 444.8
    1-chlorooctane 348.09
    1-chlorotetradecane 116.77
    n-nonane 111.73
    undecane 69.19
    tert-butylcyclohexane 101.14
    cyclooctane 157.04
    cyclopentanol 2749.95
    tetrahydropyran 4066.19
    tert-amyl methyl ether 703.94
    2,5,8-trioxanonane 744.5
    1-hexene 745.29
    2-isopropoxyethanol 642.96
    2,2,2-trifluoroethanol 471.46
    methyl butyrate 944.22

    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