1-Cyclohexylethanol, (S)-

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  • Identifiers

    CAS number
    3113-98-2

    Molecular formula
    C8H16O

    SMILES
    C[C@@H](C1CCCCC1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 68.14%
    Herbal 54.3%
    Floral 51.79%
    Oily 47.15%
    Fresh 46.88%
    Green 46.59%
    Mint 43.86%
    Fermented 36.45%
    Woody 35.74%
    Earthy 35.59%

     

    Flavor
    Fruity 35.04%
    Minty 30.23%
    Herb 29.27%
    Herbal 29.23%
    Fruit 28.16%
    Mint 23.06%
    Sweet 23.01%
    Musty 21.53%
    Mentholic 21.48%
    Terpenic 21.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    9.32 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    186°C

    Flash point

    • 73.97 ˚C est.

  • Synonyms

    • 3113-98-2
    • (1S)-1-cyclohexylethan-1-ol
    • Z3IVL7TV2X
    • 1-Cyclohexylethanol, (S)-
    • Cyclohexanemethanol, alpha-methyl-, (S)-
    • FEMA NO. 4794, S-
    • CYCLOHEXANEMETHANOL, .ALPHA.-METHYL-, (.ALPHA.S)-
    • RefChem:431736
    • CYCLOHEXANEMETHANOL, ALPHA-METHYL-, (ALPHAS)-
    • 849-459-6
    • (S)-1-Cyclohexylethanol
    • (1S)-1-CYCLOHEXYLETHANOL
    • MFCD14705946
    • (S)-1-Cyclohexylethan-1-ol
    • UNII-Z3IVL7TV2X
    • (s)-1-cyclohexyl-ethanol
    • SCHEMBL1056494
    • SCHEMBL7279948
    • AKOS016844268
    • PS-16486
    • SY037914
    • DB-336301
    • CS-0113154
    • EN300-89234
    • D77196
    • 3113-98-2

  • Applications

    1-Cyclohexylethanol, (S)- (CAS 3113-98-2) is a chiral secondary alcohol commonly used as an enantioenriched building block in medicinal and agrochemical synthesis. It serves as an intermediate for the preparation of cyclohexyl-containing APIs and advanced intermediates, and can be transformed via oxidation, substitution, or reduction to access chiral amines, ketones, or alcohol derivatives. It is often evaluated for use in asymmetric synthesis as a chiral auxiliary or to introduce a cyclohexyl motif into lead compounds. Beyond pharmaceuticals, it may find applications in fragrance and cosmetics as a potential odorant or fragrance ingredient, and may be used as a specialty solvent or processing component in contract synthesis contexts, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2675.45
    methanol 2006.65
    isopropanol 2858.92
    water 0.71
    ethyl acetate 1299.42
    n-propanol 2473.33
    acetone 1934.35
    n-butanol 2160.64
    acetonitrile 1552.32
    DMF 1156.35
    toluene 479.77
    isobutanol 1751.42
    1,4-dioxane 2369.19
    methyl acetate 1191.49
    THF 3670.2
    2-butanone 1527.05
    n-pentanol 1081.84
    sec-butanol 1919.16
    n-hexane 503.29
    ethylene glycol 221.81
    NMP 902.68
    cyclohexane 518.42
    DMSO 1487.16
    n-butyl acetate 1409.1
    n-octanol 541.41
    chloroform 3080.16
    n-propyl acetate 809.63
    acetic acid 859.53
    dichloromethane 2135.78
    cyclohexanone 1668.96
    propylene glycol 461.56
    isopropyl acetate 787.55
    DMAc 513.19
    2-ethoxyethanol 870.78
    isopentanol 1545.08
    n-heptane 364.16
    ethyl formate 767.98
    1,2-dichloroethane 1322.79
    n-hexanol 1712.35
    2-methoxyethanol 1487.37
    isobutyl acetate 535.16
    tetrachloromethane 654.48
    n-pentyl acetate 587.65
    transcutol 2009.87
    n-heptanol 628.19
    ethylbenzene 230.92
    MIBK 731.84
    2-propoxyethanol 1687.24
    tert-butanol 2623.45
    MTBE 1853.9
    2-butoxyethanol 850.83
    propionic acid 1177.77
    o-xylene 265.81
    formic acid 183.27
    diethyl ether 1967.61
    m-xylene 332.22
    p-xylene 286.22
    chlorobenzene 700.36
    dimethyl carbonate 175.63
    n-octane 119.38
    formamide 240.13
    cyclopentanone 1935.8
    2-pentanone 1303.64
    anisole 430.43
    cyclopentyl methyl ether 1419.77
    gamma-butyrolactone 1834.37
    1-methoxy-2-propanol 1289.55
    pyridine 1385.82
    3-pentanone 723.27
    furfural 1133.22
    n-dodecane 70.15
    diethylene glycol 765.79
    diisopropyl ether 543.26
    tert-amyl alcohol 1526.92
    acetylacetone 806.95
    n-hexadecane 78.29
    acetophenone 320.18
    methyl propionate 753.57
    isopentyl acetate 1029.24
    trichloroethylene 1863.01
    n-nonanol 447.47
    cyclohexanol 1281.98
    benzyl alcohol 355.78
    2-ethylhexanol 833.61
    isooctanol 502.24
    dipropyl ether 1288.04
    1,2-dichlorobenzene 518.64
    ethyl lactate 265.94
    propylene carbonate 928.84
    n-methylformamide 819.11
    2-pentanol 1365.53
    n-pentane 471.31
    1-propoxy-2-propanol 1368.31
    1-methoxy-2-propyl acetate 766.72
    2-(2-methoxypropoxy) propanol 432.15
    mesitylene 230.96
    ε-caprolactone 1250.39
    p-cymene 211.48
    epichlorohydrin 1773.15
    1,1,1-trichloroethane 1471.15
    2-aminoethanol 692.95
    morpholine-4-carbaldehyde 962.23
    sulfolane 1588.21
    2,2,4-trimethylpentane 147.35
    2-methyltetrahydrofuran 2352.06
    n-hexyl acetate 710.55
    isooctane 160.42
    2-(2-butoxyethoxy)ethanol 731.19
    sec-butyl acetate 487.47
    tert-butyl acetate 803.48
    decalin 152.44
    glycerin 445.75
    diglyme 1280.64
    acrylic acid 641.32
    isopropyl myristate 274.42
    n-butyric acid 1751.03
    acetyl acetate 514.37
    di(2-ethylhexyl) phthalate 189.41
    ethyl propionate 565.91
    nitromethane 1209.07
    1,2-diethoxyethane 1101.03
    benzonitrile 623.13
    trioctyl phosphate 182.71
    1-bromopropane 1482.48
    gamma-valerolactone 1791.95
    n-decanol 330.53
    triethyl phosphate 200.96
    4-methyl-2-pentanol 662.62
    propionitrile 1722.8
    vinylene carbonate 729.44
    1,1,2-trichlorotrifluoroethane 861.71
    DMS 311.18
    cumene 169.11
    2-octanol 410.24
    2-hexanone 872.14
    octyl acetate 329.89
    limonene 384.64
    1,2-dimethoxyethane 1455.55
    ethyl orthosilicate 224.65
    tributyl phosphate 213.27
    diacetone alcohol 767.7
    N,N-dimethylaniline 242.57
    acrylonitrile 1399.47
    aniline 672.85
    1,3-propanediol 1041.54
    bromobenzene 704.54
    dibromomethane 1812.16
    1,1,2,2-tetrachloroethane 1618.35
    2-methyl-cyclohexyl acetate 405.84
    tetrabutyl urea 246.07
    diisobutyl methanol 448.18
    2-phenylethanol 511.43
    styrene 299.82
    dioctyl adipate 282.4
    dimethyl sulfate 245.61
    ethyl butyrate 789.95
    methyl lactate 321.7
    butyl lactate 421.85
    diethyl carbonate 374.36
    propanediol butyl ether 622.68
    triethyl orthoformate 456.17
    p-tert-butyltoluene 213.18
    methyl 4-tert-butylbenzoate 341.97
    morpholine 2547.26
    tert-butylamine 2021.27
    n-dodecanol 249.4
    dimethoxymethane 829.81
    ethylene carbonate 715.38
    cyrene 288.43
    2-ethoxyethyl acetate 540.21
    2-ethylhexyl acetate 724.5
    1,2,4-trichlorobenzene 565.62
    4-methylpyridine 1125.56
    dibutyl ether 771.4
    2,6-dimethyl-4-heptanol 448.18
    DEF 836.41
    dimethyl isosorbide 639.38
    tetrachloroethylene 1097.71
    eugenol 318.62
    triacetin 400.98
    span 80 491.05
    1,4-butanediol 363.84
    1,1-dichloroethane 2027.49
    2-methyl-1-pentanol 730.28
    methyl formate 485.77
    2-methyl-1-butanol 1275.58
    n-decane 132.06
    butyronitrile 1918.37
    3,7-dimethyl-1-octanol 536.81
    1-chlorooctane 390.27
    1-chlorotetradecane 141.44
    n-nonane 145.93
    undecane 92.34
    tert-butylcyclohexane 163.54
    cyclooctane 158.21
    cyclopentanol 1574.25
    tetrahydropyran 2954.33
    tert-amyl methyl ether 908.86
    2,5,8-trioxanonane 695.18
    1-hexene 1199.83
    2-isopropoxyethanol 665.65
    2,2,2-trifluoroethanol 234.26
    methyl butyrate 800.79

    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