1-Ethoxy-4-methylcyclohexane

  • Identifiers

    Molecular formula
    C9H18O

    SMILES
    CCOC1CCC(CC1)C

  • Odor profile

    Fragrance
    Woody 56.94%
    Herbal 51.3%
    Mint 51.28%
    Green 43.86%
    Fresh 43.4%
    Floral 41.09%
    Camphoreous 39.7%
    Ethereal 38.6%
    Fruity 36.65%
    Solvent 30.59%

     

    Flavor
    Herbal 31.72%
    Sweet 31.56%
    Fruity 31.05%
    Green 28.16%
    Earthy 27.83%
    Fruit 26.01%
    Musty 23.43%
    Spicy 23.05%
    Minty 22.35%
    Herb 21.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.04 (weak base)

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    167°C

    Flash point

    • 46.05 ˚C est.

  • Synonyms

    • SCHEMBL12014
    • SCHEMBL8066665
    • SCHEMBL8356702
    • SCHEMBL13429399
    • SCHEMBL14730584
  • Applications

    1-Ethoxy-4-methylcyclohexane can be used as a solvent or reaction medium in industrial manufacturing, notably for coatings, inks, and adhesives. It also serves as an organic synthesis intermediate for specialty chemicals, including fragrance-related compounds and other specialty materials. In perfumery and cosmetics, it may function as a solvent or carrier for aroma ingredients in formulations. It can be evaluated as a processing solvent for plastics and polymers, aiding formulation of coatings and related products. Its use as an intermediate and solvent is typically application- and regulation-dependent, subject to local rules and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2425.29
    methanol 1809.18
    isopropanol 2178.03
    water 0.99
    ethyl acetate 2063.51
    n-propanol 2209.3
    acetone 1287.11
    n-butanol 2389.09
    acetonitrile 1544.33
    DMF 694.52
    toluene 1377.42
    isobutanol 1603.28
    1,4-dioxane 3374.93
    methyl acetate 1295.64
    THF 3467.85
    2-butanone 1430.39
    n-pentanol 1563.95
    sec-butanol 1987.41
    n-hexane 1496.83
    ethylene glycol 257.58
    NMP 689.66
    cyclohexane 2092.55
    DMSO 958.83
    n-butyl acetate 2556.63
    n-octanol 840.19
    chloroform 7052.12
    n-propyl acetate 1173.07
    acetic acid 1230.75
    dichloromethane 4730.25
    cyclohexanone 2068.41
    propylene glycol 481.69
    isopropyl acetate 1286.12
    DMAc 589.43
    2-ethoxyethanol 1319.53
    isopentanol 1984.39
    n-heptane 1280.64
    ethyl formate 913.31
    1,2-dichloroethane 2355.53
    n-hexanol 2970.35
    2-methoxyethanol 1606.18
    isobutyl acetate 772.34
    tetrachloromethane 1725.43
    n-pentyl acetate 1052.74
    transcutol 3310.17
    n-heptanol 893.45
    ethylbenzene 659.4
    MIBK 855.43
    2-propoxyethanol 2388.33
    tert-butanol 2640.52
    MTBE 2579.74
    2-butoxyethanol 1050.4
    propionic acid 1129.87
    o-xylene 686.46
    formic acid 241.48
    diethyl ether 3310.97
    m-xylene 766.99
    p-xylene 733.86
    chlorobenzene 1614.74
    dimethyl carbonate 227.86
    n-octane 317.74
    formamide 253.63
    cyclopentanone 1490.81
    2-pentanone 1335.2
    anisole 903.7
    cyclopentyl methyl ether 2029.25
    gamma-butyrolactone 1498.4
    1-methoxy-2-propanol 1380.33
    pyridine 2484.22
    3-pentanone 932.8
    furfural 1308.56
    n-dodecane 171.5
    diethylene glycol 1003.2
    diisopropyl ether 979.83
    tert-amyl alcohol 1959.49
    acetylacetone 940.27
    n-hexadecane 194.33
    acetophenone 633.62
    methyl propionate 920.12
    isopentyl acetate 1750.56
    trichloroethylene 3631.23
    n-nonanol 730.22
    cyclohexanol 2060.24
    benzyl alcohol 757.78
    2-ethylhexanol 1715.42
    isooctanol 710.36
    dipropyl ether 2435.74
    1,2-dichlorobenzene 1222.86
    ethyl lactate 382.43
    propylene carbonate 1086.38
    n-methylformamide 483.04
    2-pentanol 1725.27
    n-pentane 1335.13
    1-propoxy-2-propanol 1888.31
    1-methoxy-2-propyl acetate 1197.57
    2-(2-methoxypropoxy) propanol 710.56
    mesitylene 499.42
    ε-caprolactone 1923.39
    p-cymene 547.82
    epichlorohydrin 2054.46
    1,1,1-trichloroethane 3104.68
    2-aminoethanol 728.28
    morpholine-4-carbaldehyde 1103.11
    sulfolane 1155.64
    2,2,4-trimethylpentane 368.95
    2-methyltetrahydrofuran 3258.79
    n-hexyl acetate 1206.31
    isooctane 317.03
    2-(2-butoxyethoxy)ethanol 1062.98
    sec-butyl acetate 849.57
    tert-butyl acetate 1140.66
    decalin 465.07
    glycerin 466.92
    diglyme 1807.16
    acrylic acid 724.35
    isopropyl myristate 475.9
    n-butyric acid 2139.31
    acetyl acetate 1003.18
    di(2-ethylhexyl) phthalate 352.29
    ethyl propionate 883.91
    nitromethane 1054.57
    1,2-diethoxyethane 2043.83
    benzonitrile 1268.81
    trioctyl phosphate 279.71
    1-bromopropane 2892.75
    gamma-valerolactone 1703.28
    n-decanol 518.14
    triethyl phosphate 415.97
    4-methyl-2-pentanol 925.2
    propionitrile 1788.46
    vinylene carbonate 965.55
    1,1,2-trichlorotrifluoroethane 1348.79
    DMS 520.02
    cumene 412.91
    2-octanol 625.32
    2-hexanone 1131.49
    octyl acetate 551.35
    limonene 975.24
    1,2-dimethoxyethane 2247.68
    ethyl orthosilicate 489.29
    tributyl phosphate 376.7
    diacetone alcohol 804.85
    N,N-dimethylaniline 519.51
    acrylonitrile 1391.91
    aniline 1309.17
    1,3-propanediol 1071.57
    bromobenzene 1840.76
    dibromomethane 3939.53
    1,1,2,2-tetrachloroethane 3209.33
    2-methyl-cyclohexyl acetate 815.14
    tetrabutyl urea 390.59
    diisobutyl methanol 785.44
    2-phenylethanol 981.32
    styrene 881.96
    dioctyl adipate 547.33
    dimethyl sulfate 242.25
    ethyl butyrate 1405.44
    methyl lactate 332.35
    butyl lactate 604.27
    diethyl carbonate 747.14
    propanediol butyl ether 698.04
    triethyl orthoformate 977.01
    p-tert-butyltoluene 527.51
    methyl 4-tert-butylbenzoate 520.3
    morpholine 3611.25
    tert-butylamine 2379.15
    n-dodecanol 400.58
    dimethoxymethane 810.32
    ethylene carbonate 1005.39
    cyrene 411.37
    2-ethoxyethyl acetate 1002.58
    2-ethylhexyl acetate 1452.77
    1,2,4-trichlorobenzene 1280.62
    4-methylpyridine 2068.82
    dibutyl ether 1541.05
    2,6-dimethyl-4-heptanol 785.44
    DEF 1107.54
    dimethyl isosorbide 890.73
    tetrachloroethylene 2346.11
    eugenol 480.32
    triacetin 741.25
    span 80 773.7
    1,4-butanediol 414.34
    1,1-dichloroethane 3243.67
    2-methyl-1-pentanol 1311.0
    methyl formate 332.74
    2-methyl-1-butanol 1707.23
    n-decane 328.99
    butyronitrile 2300.04
    3,7-dimethyl-1-octanol 878.67
    1-chlorooctane 746.63
    1-chlorotetradecane 294.52
    n-nonane 373.36
    undecane 222.86
    tert-butylcyclohexane 428.56
    cyclooctane 604.17
    cyclopentanol 1650.72
    tetrahydropyran 4611.11
    tert-amyl methyl ether 1510.7
    2,5,8-trioxanonane 1034.09
    1-hexene 2577.86
    2-isopropoxyethanol 1008.09
    2,2,2-trifluoroethanol 294.69
    methyl butyrate 1163.41

    Scent© AI

1 of 4
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