3-Ethylcyclohexanone

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  • Identifiers

    CAS number
    22461-89-8

    Molecular formula
    C8H14O

    SMILES
    CCC1CCCC(=O)C1

    Safety labels

  • Odor profile

    Fragrance
    Mint 68.36%
    Herbal 53.3%
    Fresh 51.25%
    Green 46.18%
    Camphoreous 44.97%
    Woody 42.68%
    Ketonic 40.22%
    Cooling 39.33%
    Sweet 37.87%
    Musty 35.8%

     

    Flavor
    Minty 61.08%
    Herbal 35.0%
    Fresh 30.48%
    Mint 28.77%
    Camphor 27.86%
    Medicinal 27.68%
    Camphoraceous 25.46%
    Spice 25.06%
    Coconut 23.85%
    Spearmint 23.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.72 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    193°C

    Flash point

    • 57.74 ˚C est.

  • Synonyms

    • 3-Ethylcyclohexanone
    • 22461-89-8
    • DTXSID70281283
    • RefChem:1067812
    • DTXCID70232437
    • 3-ethylcyclohexan-1-one
    • Cyclohexanone, 3-ethyl-
    • MFCD13562924
    • NSC21117
    • 3-Ethylcyclohexanone #
    • SCHEMBL169621
    • SCHEMBL7738038
    • SCHEMBL28745151
    • XAA46189
    • NSC-21117
    • AKOS005264701
    • BS-49433
    • SY188433
    • CS-0261625
    • EN300-79320
    • E73606
    • F673198
    • Z1201627363
    • 22461-89-8

  • Applications

    3-Ethylcyclohexanone (CAS 22461-89-8) is primarily used as an intermediate in fragrance chemistry, serving as a building block for the synthesis of aroma compounds and cycloalkanone-derived odorants. It is also evaluated as a precursor in cosmetic and personal care formulations where it contributes to fragrance ingredient production. In broader fine chemicals, it functions as an organic-synthesis intermediate for pharmaceutical and agrochemical development. It can serve as a synthetic building block in industrial manufacturing and, in some processes, may be used as a solvent or processing aid, subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2362.63
    methanol 2158.77
    isopropanol 2210.03
    water 1.78
    ethyl acetate 1446.35
    n-propanol 1904.27
    acetone 2132.27
    n-butanol 1510.94
    acetonitrile 2281.78
    DMF 1830.74
    toluene 693.95
    isobutanol 1353.33
    1,4-dioxane 2558.14
    methyl acetate 1408.61
    THF 2612.89
    2-butanone 1658.48
    n-pentanol 891.21
    sec-butanol 1392.34
    n-hexane 250.35
    ethylene glycol 335.31
    NMP 1222.42
    cyclohexane 282.2
    DMSO 1777.32
    n-butyl acetate 1086.39
    n-octanol 524.77
    chloroform 4917.5
    n-propyl acetate 733.32
    acetic acid 1255.33
    dichloromethane 3359.9
    cyclohexanone 1805.53
    propylene glycol 584.96
    isopropyl acetate 808.06
    DMAc 848.43
    2-ethoxyethanol 919.17
    isopentanol 1156.23
    n-heptane 134.49
    ethyl formate 862.48
    1,2-dichloroethane 1847.68
    n-hexanol 1262.54
    2-methoxyethanol 1559.16
    isobutyl acetate 501.88
    tetrachloromethane 650.32
    n-pentyl acetate 587.62
    transcutol 3200.67
    n-heptanol 506.39
    ethylbenzene 358.32
    MIBK 696.25
    2-propoxyethanol 1550.6
    tert-butanol 1824.25
    MTBE 1299.41
    2-butoxyethanol 793.93
    propionic acid 1308.84
    o-xylene 360.79
    formic acid 302.7
    diethyl ether 1338.44
    m-xylene 445.29
    p-xylene 432.24
    chlorobenzene 1121.63
    dimethyl carbonate 284.58
    n-octane 62.27
    formamide 387.37
    cyclopentanone 1930.52
    2-pentanone 1205.3
    anisole 714.95
    cyclopentyl methyl ether 1106.97
    gamma-butyrolactone 1978.36
    1-methoxy-2-propanol 1346.78
    pyridine 2131.49
    3-pentanone 775.31
    furfural 1545.91
    n-dodecane 50.97
    diethylene glycol 939.32
    diisopropyl ether 382.6
    tert-amyl alcohol 1091.95
    acetylacetone 1048.85
    n-hexadecane 58.26
    acetophenone 547.36
    methyl propionate 875.66
    isopentyl acetate 846.79
    trichloroethylene 3305.68
    n-nonanol 428.75
    cyclohexanol 1048.94
    benzyl alcohol 593.38
    2-ethylhexanol 558.71
    isooctanol 388.85
    dipropyl ether 682.2
    1,2-dichlorobenzene 806.8
    ethyl lactate 315.96
    propylene carbonate 944.87
    n-methylformamide 1053.75
    2-pentanol 984.95
    n-pentane 212.39
    1-propoxy-2-propanol 1082.76
    1-methoxy-2-propyl acetate 805.51
    2-(2-methoxypropoxy) propanol 610.72
    mesitylene 277.42
    ε-caprolactone 1415.65
    p-cymene 216.91
    epichlorohydrin 2106.68
    1,1,1-trichloroethane 1953.11
    2-aminoethanol 805.25
    morpholine-4-carbaldehyde 1449.56
    sulfolane 1814.33
    2,2,4-trimethylpentane 82.21
    2-methyltetrahydrofuran 1827.84
    n-hexyl acetate 863.39
    isooctane 84.67
    2-(2-butoxyethoxy)ethanol 961.29
    sec-butyl acetate 489.21
    tert-butyl acetate 733.03
    decalin 121.46
    glycerin 615.64
    diglyme 1573.27
    acrylic acid 950.72
    isopropyl myristate 290.78
    n-butyric acid 1687.25
    acetyl acetate 675.07
    di(2-ethylhexyl) phthalate 252.41
    ethyl propionate 584.51
    nitromethane 1833.79
    1,2-diethoxyethane 1092.88
    benzonitrile 1115.59
    trioctyl phosphate 194.69
    1-bromopropane 1430.31
    gamma-valerolactone 2171.7
    n-decanol 306.92
    triethyl phosphate 203.68
    4-methyl-2-pentanol 500.69
    propionitrile 1724.89
    vinylene carbonate 951.75
    1,1,2-trichlorotrifluoroethane 1187.06
    DMS 534.2
    cumene 231.33
    2-octanol 358.24
    2-hexanone 855.76
    octyl acetate 373.02
    limonene 319.48
    1,2-dimethoxyethane 1423.01
    ethyl orthosilicate 209.0
    tributyl phosphate 239.4
    diacetone alcohol 790.98
    N,N-dimethylaniline 386.55
    acrylonitrile 1917.61
    aniline 963.64
    1,3-propanediol 1054.42
    bromobenzene 1199.13
    dibromomethane 2492.25
    1,1,2,2-tetrachloroethane 2528.13
    2-methyl-cyclohexyl acetate 400.91
    tetrabutyl urea 276.05
    diisobutyl methanol 314.79
    2-phenylethanol 686.12
    styrene 511.47
    dioctyl adipate 372.78
    dimethyl sulfate 380.09
    ethyl butyrate 580.87
    methyl lactate 416.77
    butyl lactate 446.04
    diethyl carbonate 336.05
    propanediol butyl ether 776.53
    triethyl orthoformate 359.52
    p-tert-butyltoluene 209.92
    methyl 4-tert-butylbenzoate 475.73
    morpholine 2704.13
    tert-butylamine 1118.07
    n-dodecanol 223.76
    dimethoxymethane 889.2
    ethylene carbonate 790.85
    cyrene 386.9
    2-ethoxyethyl acetate 722.95
    2-ethylhexyl acetate 580.65
    1,2,4-trichlorobenzene 919.4
    4-methylpyridine 1781.14
    dibutyl ether 622.85
    2,6-dimethyl-4-heptanol 314.79
    DEF 980.98
    dimethyl isosorbide 776.44
    tetrachloroethylene 1547.96
    eugenol 495.85
    triacetin 605.49
    span 80 602.73
    1,4-butanediol 415.87
    1,1-dichloroethane 2545.09
    2-methyl-1-pentanol 637.44
    methyl formate 684.43
    2-methyl-1-butanol 961.85
    n-decane 92.51
    butyronitrile 1605.54
    3,7-dimethyl-1-octanol 486.44
    1-chlorooctane 360.38
    1-chlorotetradecane 127.55
    n-nonane 96.59
    undecane 66.38
    tert-butylcyclohexane 121.33
    cyclooctane 88.17
    cyclopentanol 1236.62
    tetrahydropyran 2299.82
    tert-amyl methyl ether 684.21
    2,5,8-trioxanonane 941.06
    1-hexene 788.41
    2-isopropoxyethanol 692.79
    2,2,2-trifluoroethanol 313.86
    methyl butyrate 822.52

    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