1-Ethyl-3-methylcyclohexane

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  • Identifiers

    CAS number
    3728-55-0

    Molecular formula
    C9H18

    SMILES
    CCC1CCCC(C1)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Citrus 45.4%
    Fresh 34.15%
    Sweet 33.65%
    Woody 32.21%
    Gassy 29.61%
    Herbal 29.58%
    Lemon 28.06%
    Dry 25.15%
    Green 24.89%
    Terpenic 24.64%

     

    Flavor
    Sweet 24.58%
    Old paper 20.98%
    Terpenic 20.86%
    Beet 20.53%
    Mentholic 20.45%
    Soil 20.38%
    Pine 20.21%
    Pleasant 19.9%
    Spice 19.9%
    Fir needle 19.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    9.94 (weak base)

    Molecular weight
    126.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    148°C

    Flash point

    • 31.93 ˚C est.

  • Synonyms

    • 1-Ethyl-3-methylcyclohexane
    • 3728-55-0
    • Cyclohexane, 1-ethyl-3-methyl-
    • 1-Ethyl-3-methylcyclohexane (c,t)
    • MFCD00045510
    • 1-Ethyl-3-methylcyclohexane (cis,trans)-
    • 1-methyl-3-ethylcyclohexane
    • 1-Ethyl-3-methylcyclohexane #
    • DTXSID70864893
    • 1-ethyl-trans-3-methylcyclohexane
    • CS-0451768
    • E0423
    • D90512
    • 1-Ethyl-3-methylcyclohexane (cis- and trans- mixture)

  • Applications

    1-Ethyl-3-methylcyclohexane, CAS 3728-55-0, is a nonpolar alicyclic hydrocarbon that is used as a nonpolar solvent in coatings, inks, and industrial cleaning formulations; it can serve as a chemical intermediate or building block in organic synthesis to access other cyclohexyl derivatives; it may function as a diluent in polymer and plastics processing formulations; and it is sometimes evaluated as a processing solvent or formulation aid in various industrial chemical applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2292.6
    methanol 997.32
    isopropanol 2643.55
    water 0.05
    ethyl acetate 4481.24
    n-propanol 2592.6
    acetone 3759.78
    n-butanol 3446.63
    acetonitrile 2488.98
    DMF 1520.76
    toluene 2818.38
    isobutanol 2318.41
    1,4-dioxane 5492.49
    methyl acetate 2785.36
    THF 9511.61
    2-butanone 4021.04
    n-pentanol 2030.94
    sec-butanol 2858.79
    n-hexane 3912.36
    ethylene glycol 92.12
    NMP 1348.1
    cyclohexane 4093.42
    DMSO 1818.19
    n-butyl acetate 10830.5
    n-octanol 1618.73
    chloroform 6034.93
    n-propyl acetate 2924.6
    acetic acid 709.7
    dichloromethane 4981.49
    cyclohexanone 5069.45
    propylene glycol 269.51
    isopropyl acetate 3184.52
    DMAc 1097.8
    2-ethoxyethanol 1254.03
    isopentanol 3300.86
    n-heptane 4678.43
    ethyl formate 1608.77
    1,2-dichloroethane 3787.28
    n-hexanol 6274.64
    2-methoxyethanol 1912.69
    isobutyl acetate 1953.33
    tetrachloromethane 1637.65
    n-pentyl acetate 2356.39
    transcutol 4755.23
    n-heptanol 1723.77
    ethylbenzene 1208.82
    MIBK 2830.09
    2-propoxyethanol 4333.1
    tert-butanol 3999.59
    MTBE 6839.18
    2-butoxyethanol 1709.56
    propionic acid 1112.56
    o-xylene 1229.38
    formic acid 66.76
    diethyl ether 7970.68
    m-xylene 1685.26
    p-xylene 1272.45
    chlorobenzene 2227.11
    dimethyl carbonate 440.59
    n-octane 1094.68
    formamide 118.34
    cyclopentanone 4515.75
    2-pentanone 4258.78
    anisole 1526.95
    cyclopentyl methyl ether 5192.09
    gamma-butyrolactone 3252.79
    1-methoxy-2-propanol 2064.38
    pyridine 3827.26
    3-pentanone 2919.39
    furfural 1790.48
    n-dodecane 524.0
    diethylene glycol 1024.84
    diisopropyl ether 3169.06
    tert-amyl alcohol 3105.18
    acetylacetone 2463.14
    n-hexadecane 612.66
    acetophenone 882.85
    methyl propionate 2178.49
    isopentyl acetate 7024.61
    trichloroethylene 4458.27
    n-nonanol 1419.92
    cyclohexanol 2883.64
    benzyl alcohol 729.34
    2-ethylhexanol 4903.69
    isooctanol 1458.03
    dipropyl ether 9569.73
    1,2-dichlorobenzene 1574.64
    ethyl lactate 505.57
    propylene carbonate 2004.09
    n-methylformamide 669.21
    2-pentanol 2975.21
    n-pentane 3016.34
    1-propoxy-2-propanol 4854.74
    1-methoxy-2-propyl acetate 3528.66
    2-(2-methoxypropoxy) propanol 1080.77
    mesitylene 1165.93
    ε-caprolactone 3703.24
    p-cymene 1507.77
    epichlorohydrin 4194.21
    1,1,1-trichloroethane 4639.86
    2-aminoethanol 346.0
    morpholine-4-carbaldehyde 1744.63
    sulfolane 2499.45
    2,2,4-trimethylpentane 899.08
    2-methyltetrahydrofuran 8049.48
    n-hexyl acetate 2772.06
    isooctane 1045.57
    2-(2-butoxyethoxy)ethanol 1823.24
    sec-butyl acetate 2024.0
    tert-butyl acetate 3519.98
    decalin 1087.52
    glycerin 244.45
    diglyme 3304.05
    acrylic acid 534.94
    isopropyl myristate 1242.58
    n-butyric acid 2886.86
    acetyl acetate 1604.48
    di(2-ethylhexyl) phthalate 517.88
    ethyl propionate 2199.48
    nitromethane 1280.06
    1,2-diethoxyethane 5743.45
    benzonitrile 1576.57
    trioctyl phosphate 592.27
    1-bromopropane 6337.3
    gamma-valerolactone 3696.49
    n-decanol 1105.48
    triethyl phosphate 895.87
    4-methyl-2-pentanol 1906.47
    propionitrile 3392.88
    vinylene carbonate 1357.08
    1,1,2-trichlorotrifluoroethane 1262.35
    DMS 943.15
    cumene 758.42
    2-octanol 1258.9
    2-hexanone 3353.75
    octyl acetate 1302.15
    limonene 3132.55
    1,2-dimethoxyethane 3960.59
    ethyl orthosilicate 1080.58
    tributyl phosphate 768.78
    diacetone alcohol 1955.03
    N,N-dimethylaniline 845.33
    acrylonitrile 2258.5
    aniline 1809.33
    1,3-propanediol 823.37
    bromobenzene 2855.19
    dibromomethane 4963.03
    1,1,2,2-tetrachloroethane 3646.9
    2-methyl-cyclohexyl acetate 2025.03
    tetrabutyl urea 883.7
    diisobutyl methanol 2424.05
    2-phenylethanol 1703.38
    styrene 1451.03
    dioctyl adipate 1020.3
    dimethyl sulfate 448.65
    ethyl butyrate 5337.27
    methyl lactate 442.6
    butyl lactate 1098.16
    diethyl carbonate 2083.37
    propanediol butyl ether 929.22
    triethyl orthoformate 2792.72
    p-tert-butyltoluene 1474.96
    methyl 4-tert-butylbenzoate 866.23
    morpholine 5626.12
    tert-butylamine 3928.63
    n-dodecanol 892.33
    dimethoxymethane 2106.58
    ethylene carbonate 1560.65
    cyrene 531.8
    2-ethoxyethyl acetate 1980.32
    2-ethylhexyl acetate 5799.81
    1,2,4-trichlorobenzene 1479.88
    4-methylpyridine 3772.94
    dibutyl ether 5299.6
    2,6-dimethyl-4-heptanol 2424.05
    DEF 2730.1
    dimethyl isosorbide 1843.3
    tetrachloroethylene 2292.4
    eugenol 681.99
    triacetin 1057.39
    span 80 1186.11
    1,4-butanediol 264.31
    1,1-dichloroethane 5038.7
    2-methyl-1-pentanol 1857.93
    methyl formate 515.62
    2-methyl-1-butanol 2726.49
    n-decane 1007.48
    butyronitrile 4989.91
    3,7-dimethyl-1-octanol 2111.12
    1-chlorooctane 2141.23
    1-chlorotetradecane 772.35
    n-nonane 1189.55
    undecane 689.78
    tert-butylcyclohexane 1064.91
    cyclooctane 1620.2
    cyclopentanol 2426.61
    tetrahydropyran 9889.34
    tert-amyl methyl ether 3854.33
    2,5,8-trioxanonane 1667.58
    1-hexene 6082.92
    2-isopropoxyethanol 1227.82
    2,2,2-trifluoroethanol 152.46
    methyl butyrate 2886.41

    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