1-Ethyl-4-methylcyclohexane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3728-56-1

    Molecular formula
    C9H18

    SMILES
    CCC1CCC(CC1)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sweet 39.94%
    Citrus 39.31%
    Gassy 33.96%
    Woody 29.42%
    Fresh 27.95%
    Dry 27.35%
    Lemon 24.13%
    Pine 22.43%
    Amber 21.68%
    Musk 20.64%

     

    Flavor
    Alkane 27.55%
    Sweet 21.85%
    Old paper 20.7%
    Terpenic 20.31%
    Beet 19.89%
    Soil 19.86%
    Mentholic 19.32%
    Fir needle 19.22%
    Alkaline 19.2%
    Pine 19.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    9.75 (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

    • 34.08 ˚C est.

  • Synonyms

    • 1-Ethyl-4-methylcyclohexane
    • 3728-56-1
    • cis-1-Ethyl-4-Methylcyclohexane
    • trans-1-Ethyl-4-Methylcyclohexane
    • 4926-78-7
    • 6236-88-0
    • Cyclohexane, 1-ethyl-4-methyl-, cis-
    • Cyclohexane, 1-ethyl-4-methyl-, trans-
    • cis-1-ethyl-4-methycyclohexane
    • trans-1-ethyl-4-methycyclohexane
    • DTXSID00190733
    • Cyclohexane, 1-ethyl-4-methyl-
    • 1-Ethyl-4-methylcyclohexane cis-
    • Cis-1-ethyl-4-methyl cyclohexane
    • 1-Ethyl-4-methylcyclohexane trans-
    • 1-ethyl-4-methyl(trans)-cyclohexane
    • MFCD00045511
    • 1-ethyl-4-methyl-cyclohexane
    • c-1-Ethyl-4-methylcyclohexane
    • 1-Methyl-cis-4-ethylcyclohexane
    • cis-1-Methyl-4-Ethylcyclohexane
    • DTXCID40113224
    • CYISMTMRBPPERU-DTORHVGOSA-N
    • CYISMTMRBPPERU-KYZUINATSA-N
    • 1-Methyl-trans-4-ethylcyclohexane
    • DTXSID001025635
    • DTXSID201015854
    • trans-1-Methyl-4-Ethylcyclohexane
    • 1-ethyl-4-methyl(cis)-cyclohexane
    • 1-Ethyl-4-methylcyclohexane, (E)-
    • 1-Ethyl-4-methylcyclohexane, (Z)-
    • 1-Ethyl-4-methylcyclohexane, trans-
    • LMFA11000649
    • LMFA11000650
    • AKOS006274115
    • AKOS006274116
    • DB-049090
    • DB-318923
    • CS-0451769
    • E0424
    • T72381

  • Applications

    1-Ethyl-4-methylcyclohexane (CAS 3728-56-1) is a nonpolar hydrocarbon that is commonly used as a solvent and a chemical building block in industrial formulations; in manufacturing, it may serve as a nonpolar solvent/diluent for coatings, inks, and cleaning products based on hydrocarbon systems; it can also function as an intermediate for the synthesis of other cycloalkane derivatives; in fragrance and perfumery applications it may be evaluated as a nonpolar component or carrier in formulations; additionally, it can appear as a component in adhesives and plastics processing formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 621.86
    methanol 187.84
    isopropanol 767.03
    water 0.02
    ethyl acetate 1741.7
    n-propanol 772.07
    acetone 930.06
    n-butanol 1051.88
    acetonitrile 767.07
    DMF 372.18
    toluene 1507.55
    isobutanol 632.57
    1,4-dioxane 2324.39
    methyl acetate 914.09
    THF 4499.03
    2-butanone 1244.89
    n-pentanol 625.17
    sec-butanol 855.26
    n-hexane 1439.55
    ethylene glycol 22.0
    NMP 481.21
    cyclohexane 2125.33
    DMSO 520.21
    n-butyl acetate 4871.55
    n-octanol 675.72
    chloroform 2986.17
    n-propyl acetate 1131.13
    acetic acid 239.74
    dichloromethane 2708.5
    cyclohexanone 2017.2
    propylene glycol 80.02
    isopropyl acetate 1247.48
    DMAc 354.58
    2-ethoxyethanol 379.63
    isopentanol 1003.96
    n-heptane 3274.2
    ethyl formate 632.39
    1,2-dichloroethane 1811.59
    n-hexanol 2419.35
    2-methoxyethanol 509.65
    isobutyl acetate 761.08
    tetrachloromethane 808.64
    n-pentyl acetate 1155.72
    transcutol 2055.73
    n-heptanol 748.23
    ethylbenzene 670.58
    MIBK 1011.08
    2-propoxyethanol 1539.68
    tert-butanol 1238.29
    MTBE 2078.23
    2-butoxyethanol 680.07
    propionic acid 353.65
    o-xylene 657.22
    formic acid 17.36
    diethyl ether 2752.66
    m-xylene 814.82
    p-xylene 714.78
    chlorobenzene 1144.0
    dimethyl carbonate 149.92
    n-octane 643.58
    formamide 35.88
    cyclopentanone 1751.53
    2-pentanone 1443.91
    anisole 766.63
    cyclopentyl methyl ether 2196.26
    gamma-butyrolactone 1327.41
    1-methoxy-2-propanol 626.18
    pyridine 1992.27
    3-pentanone 1005.5
    furfural 800.34
    n-dodecane 283.5
    diethylene glycol 332.21
    diisopropyl ether 1103.89
    tert-amyl alcohol 991.13
    acetylacetone 964.68
    n-hexadecane 336.01
    acetophenone 463.39
    methyl propionate 719.31
    isopentyl acetate 3223.48
    trichloroethylene 2182.98
    n-nonanol 641.18
    cyclohexanol 1131.6
    benzyl alcohol 331.33
    2-ethylhexanol 2372.77
    isooctanol 647.08
    dipropyl ether 5220.87
    1,2-dichlorobenzene 824.59
    ethyl lactate 192.61
    propylene carbonate 954.9
    n-methylformamide 170.06
    2-pentanol 897.2
    n-pentane 1164.91
    1-propoxy-2-propanol 1940.0
    1-methoxy-2-propyl acetate 1646.76
    2-(2-methoxypropoxy) propanol 518.04
    mesitylene 552.94
    ε-caprolactone 1641.28
    p-cymene 993.9
    epichlorohydrin 1820.26
    1,1,1-trichloroethane 2222.31
    2-aminoethanol 95.45
    morpholine-4-carbaldehyde 633.37
    sulfolane 949.88
    2,2,4-trimethylpentane 336.9
    2-methyltetrahydrofuran 3636.01
    n-hexyl acetate 1310.36
    isooctane 387.61
    2-(2-butoxyethoxy)ethanol 834.89
    sec-butyl acetate 809.58
    tert-butyl acetate 1293.76
    decalin 563.18
    glycerin 73.16
    diglyme 1579.22
    acrylic acid 172.32
    isopropyl myristate 655.31
    n-butyric acid 1049.03
    acetyl acetate 728.55
    di(2-ethylhexyl) phthalate 291.18
    ethyl propionate 895.4
    nitromethane 398.83
    1,2-diethoxyethane 2867.08
    benzonitrile 783.67
    trioctyl phosphate 290.65
    1-bromopropane 2750.55
    gamma-valerolactone 1467.04
    n-decanol 502.2
    triethyl phosphate 517.78
    4-methyl-2-pentanol 595.31
    propionitrile 1146.73
    vinylene carbonate 653.26
    1,1,2-trichlorotrifluoroethane 485.92
    DMS 410.52
    cumene 412.69
    2-octanol 534.09
    2-hexanone 1294.06
    octyl acetate 691.84
    limonene 1860.74
    1,2-dimethoxyethane 1444.21
    ethyl orthosilicate 611.81
    tributyl phosphate 393.91
    diacetone alcohol 710.99
    N,N-dimethylaniline 427.91
    acrylonitrile 719.98
    aniline 818.17
    1,3-propanediol 249.48
    bromobenzene 1511.03
    dibromomethane 2571.55
    1,1,2,2-tetrachloroethane 1820.79
    2-methyl-cyclohexyl acetate 1078.36
    tetrabutyl urea 466.89
    diisobutyl methanol 1276.64
    2-phenylethanol 807.01
    styrene 808.14
    dioctyl adipate 588.63
    dimethyl sulfate 141.47
    ethyl butyrate 2828.13
    methyl lactate 147.64
    butyl lactate 462.95
    diethyl carbonate 1134.42
    propanediol butyl ether 325.11
    triethyl orthoformate 1577.56
    p-tert-butyltoluene 926.55
    methyl 4-tert-butylbenzoate 473.97
    morpholine 2341.08
    tert-butylamine 1304.43
    n-dodecanol 413.61
    dimethoxymethane 634.98
    ethylene carbonate 734.46
    cyrene 250.38
    2-ethoxyethyl acetate 947.76
    2-ethylhexyl acetate 2814.3
    1,2,4-trichlorobenzene 780.22
    4-methylpyridine 1798.16
    dibutyl ether 2613.9
    2,6-dimethyl-4-heptanol 1276.64
    DEF 997.67
    dimethyl isosorbide 963.65
    tetrachloroethylene 1096.71
    eugenol 337.03
    triacetin 515.25
    span 80 619.08
    1,4-butanediol 72.87
    1,1-dichloroethane 2092.52
    2-methyl-1-pentanol 621.32
    methyl formate 135.56
    2-methyl-1-butanol 800.42
    n-decane 577.6
    butyronitrile 1736.3
    3,7-dimethyl-1-octanol 916.92
    1-chlorooctane 1092.19
    1-chlorotetradecane 412.11
    n-nonane 663.66
    undecane 384.58
    tert-butylcyclohexane 506.11
    cyclooctane 869.95
    cyclopentanol 934.2
    tetrahydropyran 4446.21
    tert-amyl methyl ether 1297.72
    2,5,8-trioxanonane 902.1
    1-hexene 2363.21
    2-isopropoxyethanol 391.43
    2,2,2-trifluoroethanol 46.65
    methyl butyrate 1185.4

    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