2-Ethylcyclohexanone

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  • Identifiers

    CAS number
    4423-94-3

    Molecular formula
    C8H14O

    SMILES
    CCC1CCCCC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 79.08%
    Herbal 67.26%
    Camphoreous 58.46%
    Ketonic 56.47%
    Cooling 43.76%
    Woody 43.69%
    Fresh 41.89%
    Solvent 39.46%
    Musty 34.31%
    Earthy 32.3%

     

    Flavor
    Minty 55.53%
    Fruity 30.51%
    Fresh 29.55%
    Herbal 29.18%
    Mint 25.05%
    Coconut 22.62%
    Fatty 22.03%
    Camphor 21.37%
    Sweet 21.26%
    Camphoraceous 21.03%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.74 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    185°C

    Flash point

    • 56.16 ˚C est.

  • Synonyms

    • 2-ETHYLCYCLOHEXANONE
    • 4423-94-3
    • HJD3AJZ2U4
    • NSC-163961
    • DTXSID101017021
    • RefChem:86957
    • 2-Ethylcyclohexanone, (A+-)-
    • DTXCID50835283
    • 2-ethylcyclohexan-1-one
    • Cyclohexanone, 2-ethyl-
    • MFCD00066306
    • NSC163961
    • 2-Ethyl-cyclohexanone
    • 2-ethyl-cyclohexan-1-one
    • (+/-)-2-Ethylcyclohexanone
    • SCHEMBL200410
    • CHEMBL330114
    • SCHEMBL6587175
    • SCHEMBL27558685
    • 2-Ethylcyclohexanone, (+/-)-
    • EAA42394
    • AKOS009156519
    • AB02693
    • EBC-613013
    • NSC 163961
    • AS-57405
    • SY185028
    • CS-0103893
    • EN300-79774
    • D97760
    • F617003
    • 4423-94-3

  • Applications

    2-Ethylcyclohexanone (CAS 4423-94-3) is primarily used as a fragrance intermediate, providing a building block for aroma compounds in perfumery and related cosmetic formulations. It may also function as a solvent or processing aid in specialty fragrance and cosmetic preparations. In industrial manufacturing, it is used as a precursor to additional cyclic ketone derivatives and as a solvent in chemical synthesis with applications in coatings and inks. In pharmaceutical and chemical production, it is commonly evaluated as an intermediate for the synthesis of more complex molecules, with use subject to regulatory compliance. It can also appear as a solvent in cleaning formulations and as a process-aid in industrial cleaning applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3401.65
    methanol 4196.07
    isopropanol 2818.06
    water 2.93
    ethyl acetate 2517.24
    n-propanol 2671.41
    acetone 4040.27
    n-butanol 2196.83
    acetonitrile 5459.1
    DMF 2969.82
    toluene 1460.59
    isobutanol 1958.38
    1,4-dioxane 4514.36
    methyl acetate 2468.38
    THF 4764.51
    2-butanone 2995.15
    n-pentanol 1461.66
    sec-butanol 1964.92
    n-hexane 556.37
    ethylene glycol 358.34
    NMP 3080.23
    cyclohexane 719.64
    DMSO 3082.86
    n-butyl acetate 2298.08
    n-octanol 985.88
    chloroform 9925.83
    n-propyl acetate 1871.11
    acetic acid 2607.6
    dichloromethane 8008.6
    cyclohexanone 4243.96
    propylene glycol 532.46
    isopropyl acetate 1558.3
    DMAc 1367.51
    2-ethoxyethanol 1495.33
    isopentanol 1842.94
    n-heptane 276.35
    ethyl formate 1784.79
    1,2-dichloroethane 4152.63
    n-hexanol 1665.16
    2-methoxyethanol 2208.6
    isobutyl acetate 1182.97
    tetrachloromethane 1656.32
    n-pentyl acetate 1517.52
    transcutol 5770.01
    n-heptanol 808.35
    ethylbenzene 733.45
    MIBK 1334.72
    2-propoxyethanol 2062.43
    tert-butanol 2412.05
    MTBE 2289.14
    2-butoxyethanol 1279.78
    propionic acid 2377.66
    o-xylene 698.55
    formic acid 660.27
    diethyl ether 2586.97
    m-xylene 820.97
    p-xylene 936.12
    chlorobenzene 2735.32
    dimethyl carbonate 528.63
    n-octane 138.14
    formamide 952.52
    cyclopentanone 4215.2
    2-pentanone 2274.02
    anisole 1409.83
    cyclopentyl methyl ether 2307.92
    gamma-butyrolactone 4645.24
    1-methoxy-2-propanol 1673.99
    pyridine 4428.58
    3-pentanone 1491.19
    furfural 3484.34
    n-dodecane 105.7
    diethylene glycol 1133.05
    diisopropyl ether 768.09
    tert-amyl alcohol 1605.73
    acetylacetone 2023.61
    n-hexadecane 123.83
    acetophenone 1199.11
    methyl propionate 1538.83
    isopentyl acetate 1826.56
    trichloroethylene 7338.08
    n-nonanol 776.99
    cyclohexanol 1921.83
    benzyl alcohol 1082.19
    2-ethylhexanol 947.57
    isooctanol 697.39
    dipropyl ether 1235.78
    1,2-dichlorobenzene 2079.66
    ethyl lactate 564.66
    propylene carbonate 2324.11
    n-methylformamide 2155.94
    2-pentanol 1423.98
    n-pentane 426.43
    1-propoxy-2-propanol 1504.82
    1-methoxy-2-propyl acetate 1319.57
    2-(2-methoxypropoxy) propanol 952.4
    mesitylene 537.54
    ε-caprolactone 3274.87
    p-cymene 427.81
    epichlorohydrin 4712.74
    1,1,1-trichloroethane 4373.23
    2-aminoethanol 938.93
    morpholine-4-carbaldehyde 2737.99
    sulfolane 4409.64
    2,2,4-trimethylpentane 175.86
    2-methyltetrahydrofuran 3936.44
    n-hexyl acetate 1983.98
    isooctane 176.5
    2-(2-butoxyethoxy)ethanol 1571.01
    sec-butyl acetate 1125.63
    tert-butyl acetate 1476.13
    decalin 269.6
    glycerin 629.27
    diglyme 2805.57
    acrylic acid 1886.06
    isopropyl myristate 605.39
    n-butyric acid 3015.36
    acetyl acetate 1347.12
    di(2-ethylhexyl) phthalate 470.72
    ethyl propionate 1276.82
    nitromethane 4266.4
    1,2-diethoxyethane 2315.71
    benzonitrile 2598.33
    trioctyl phosphate 356.95
    1-bromopropane 3014.8
    gamma-valerolactone 4458.92
    n-decanol 529.46
    triethyl phosphate 399.78
    4-methyl-2-pentanol 751.42
    propionitrile 3554.86
    vinylene carbonate 2226.21
    1,1,2-trichlorotrifluoroethane 2214.89
    DMS 1076.44
    cumene 473.65
    2-octanol 652.03
    2-hexanone 1885.8
    octyl acetate 787.61
    limonene 642.39
    1,2-dimethoxyethane 2796.83
    ethyl orthosilicate 412.03
    tributyl phosphate 485.94
    diacetone alcohol 1245.33
    N,N-dimethylaniline 737.16
    acrylonitrile 4110.46
    aniline 1854.06
    1,3-propanediol 1413.54
    bromobenzene 2981.38
    dibromomethane 5471.45
    1,1,2,2-tetrachloroethane 5314.44
    2-methyl-cyclohexyl acetate 825.08
    tetrabutyl urea 555.71
    diisobutyl methanol 532.42
    2-phenylethanol 1104.07
    styrene 1119.68
    dioctyl adipate 737.3
    dimethyl sulfate 747.63
    ethyl butyrate 1334.33
    methyl lactate 606.21
    butyl lactate 897.99
    diethyl carbonate 736.07
    propanediol butyl ether 1194.52
    triethyl orthoformate 758.97
    p-tert-butyltoluene 396.83
    methyl 4-tert-butylbenzoate 873.95
    morpholine 4536.64
    tert-butylamine 1757.05
    n-dodecanol 380.67
    dimethoxymethane 1502.23
    ethylene carbonate 1922.62
    cyrene 649.32
    2-ethoxyethyl acetate 1536.38
    2-ethylhexyl acetate 1285.7
    1,2,4-trichlorobenzene 2293.02
    4-methylpyridine 4025.8
    dibutyl ether 1421.61
    2,6-dimethyl-4-heptanol 532.42
    DEF 2018.11
    dimethyl isosorbide 1428.71
    tetrachloroethylene 3611.54
    eugenol 898.5
    triacetin 1176.75
    span 80 922.24
    1,4-butanediol 555.28
    1,1-dichloroethane 5333.88
    2-methyl-1-pentanol 1158.05
    methyl formate 1457.4
    2-methyl-1-butanol 1628.9
    n-decane 200.06
    butyronitrile 3468.05
    3,7-dimethyl-1-octanol 865.29
    1-chlorooctane 790.57
    1-chlorotetradecane 273.72
    n-nonane 216.21
    undecane 139.81
    tert-butylcyclohexane 280.2
    cyclooctane 205.95
    cyclopentanol 2206.0
    tetrahydropyran 4197.35
    tert-amyl methyl ether 1184.22
    2,5,8-trioxanonane 1470.85
    1-hexene 1522.98
    2-isopropoxyethanol 1091.57
    2,2,2-trifluoroethanol 660.38
    methyl butyrate 1899.27

    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