5-Ethyl-3,4,5,6-tetramethyl-2-cyclohexenone

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  • Identifiers

    CAS number
    17369-61-8

    Molecular formula
    C12H20O

    SMILES
    CCC1(C(C(=CC(=O)C1C)C)C)C

  • Odor profile

    Fragrance
    Fruity 74.67%
    Spicy 54.41%
    Woody 46.41%
    Mint 41.55%
    Caramellic 39.23%
    Herbal 38.46%
    Berry 31.77%
    Tobacco 30.51%
    Dry 29.46%
    Camphoreous 29.22%

     

    Flavor
    Woody 56.17%
    Herbal 48.82%
    Minty 43.52%
    Green 41.65%
    Camphor 37.36%
    Spice 31.61%
    Spicy 30.61%
    Herb 27.09%
    Fresh 26.29%
    Wood 25.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.96 (weak base)

    Molecular weight
    180.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    250°C

    Flash point

    • 93.99 ˚C est.

  • Synonyms

    • 17369-61-8
    • 5-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one
    • 5-Ethyl-3,4,5,6-tetramethyl-2-cyclohexen-1-one
    • LPZ81BCM3U
    • 5-Ethyl-3,4,5,6-tetramethyl-2-cyclohexenone
    • EINECS 241-404-9
    • FEMA NO. 3061, 3,4,5,6-TETRAMETHYL-
    • (+/-)-5-ETHYL-3,4,5,6-TETRAMETHYL-2-CYCLOHEXENONE
    • 2-CYCLOHEXEN-1-ONE, 5-ETHYL-3,4,5,6-TETRAMETHYL-
    • 5-ETHYL-3,4,5,6-TETRAMETHYL-2-CYCLOHEXENONE, (+/-)-
    • 5-Ethyl-3,4,5,6-tetramethylcyclohexen-2-one
    • UNII-LPZ81BCM3U
    • SCHEMBL3505903
    • DTXSID70938422
    • NWRKGLAPSUFTME-UHFFFAOYSA-N
    • Q27283118

  • Applications

    5-Ethyl-3,4,5,6-tetramethyl-2-cyclohexenone (CAS 17369-61-8) is commonly used as a fragrance/aroma intermediate and building block for the synthesis of more complex odorants in perfumery and flavor applications. It may also function as an odorant component in cosmetics and personal care formulations, and is considered a potential intermediate in industrial chemical processes for fragrance-related compounds used in household products. In the broader chemical industry, it can serve as a scaffold for the preparation of other aromatic derivatives, including applications in coatings, inks, and polymer-related materials where fragrance notes are desirable. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 731.35
    methanol 830.86
    isopropanol 653.59
    water 3.49
    ethyl acetate 781.08
    n-propanol 740.29
    acetone 863.42
    n-butanol 621.86
    acetonitrile 1036.19
    DMF 1102.9
    toluene 804.75
    isobutanol 485.9
    1,4-dioxane 2027.41
    methyl acetate 775.75
    THF 2425.02
    2-butanone 885.08
    n-pentanol 317.49
    sec-butanol 474.96
    n-hexane 152.07
    ethylene glycol 110.58
    NMP 785.38
    cyclohexane 301.87
    DMSO 644.84
    n-butyl acetate 633.7
    n-octanol 289.97
    chloroform 2203.46
    n-propyl acetate 415.5
    acetic acid 338.12
    dichloromethane 1862.73
    cyclohexanone 1370.51
    propylene glycol 133.52
    isopropyl acetate 523.29
    DMAc 512.55
    2-ethoxyethanol 425.58
    isopentanol 449.79
    n-heptane 97.42
    ethyl formate 431.08
    1,2-dichloroethane 1405.13
    n-hexanol 666.82
    2-methoxyethanol 790.75
    isobutyl acetate 283.22
    tetrachloromethane 590.88
    n-pentyl acetate 412.75
    transcutol 1050.37
    n-heptanol 308.31
    ethylbenzene 394.18
    MIBK 442.24
    2-propoxyethanol 898.51
    tert-butanol 687.73
    MTBE 821.51
    2-butoxyethanol 441.4
    propionic acid 412.02
    o-xylene 452.19
    formic acid 139.48
    diethyl ether 1076.16
    m-xylene 550.03
    p-xylene 466.51
    chlorobenzene 851.0
    dimethyl carbonate 259.64
    n-octane 53.29
    formamide 256.93
    cyclopentanone 1500.99
    2-pentanone 736.57
    anisole 639.09
    cyclopentyl methyl ether 1006.63
    gamma-butyrolactone 1339.06
    1-methoxy-2-propanol 660.87
    pyridine 1176.27
    3-pentanone 610.83
    furfural 883.45
    n-dodecane 34.62
    diethylene glycol 470.43
    diisopropyl ether 337.85
    tert-amyl alcohol 478.56
    acetylacetone 636.36
    n-hexadecane 41.43
    acetophenone 432.66
    methyl propionate 602.0
    isopentyl acetate 537.07
    trichloroethylene 1943.95
    n-nonanol 247.49
    cyclohexanol 609.47
    benzyl alcohol 364.74
    2-ethylhexanol 343.92
    isooctanol 242.47
    dipropyl ether 441.77
    1,2-dichlorobenzene 644.77
    ethyl lactate 167.27
    propylene carbonate 569.29
    n-methylformamide 616.82
    2-pentanol 412.59
    n-pentane 165.31
    1-propoxy-2-propanol 573.18
    1-methoxy-2-propyl acetate 552.51
    2-(2-methoxypropoxy) propanol 300.39
    mesitylene 364.11
    ε-caprolactone 927.92
    p-cymene 228.69
    epichlorohydrin 1513.87
    1,1,1-trichloroethane 1425.38
    2-aminoethanol 255.79
    morpholine-4-carbaldehyde 1008.11
    sulfolane 1145.03
    2,2,4-trimethylpentane 70.02
    2-methyltetrahydrofuran 1448.54
    n-hexyl acetate 570.07
    isooctane 69.19
    2-(2-butoxyethoxy)ethanol 437.68
    sec-butyl acetate 307.1
    tert-butyl acetate 529.99
    decalin 125.88
    glycerin 169.62
    diglyme 831.46
    acrylic acid 307.37
    isopropyl myristate 200.63
    n-butyric acid 544.67
    acetyl acetate 419.75
    di(2-ethylhexyl) phthalate 160.68
    ethyl propionate 402.47
    nitromethane 765.06
    1,2-diethoxyethane 610.69
    benzonitrile 589.32
    trioctyl phosphate 132.46
    1-bromopropane 945.13
    gamma-valerolactone 1506.56
    n-decanol 174.61
    triethyl phosphate 166.2
    4-methyl-2-pentanol 250.27
    propionitrile 950.57
    vinylene carbonate 572.95
    1,1,2-trichlorotrifluoroethane 584.36
    DMS 426.7
    cumene 265.47
    2-octanol 237.18
    2-hexanone 461.16
    octyl acetate 251.8
    limonene 299.02
    1,2-dimethoxyethane 858.92
    ethyl orthosilicate 171.1
    tributyl phosphate 152.75
    diacetone alcohol 453.59
    N,N-dimethylaniline 383.78
    acrylonitrile 919.75
    aniline 653.61
    1,3-propanediol 417.02
    bromobenzene 911.25
    dibromomethane 1321.91
    1,1,2,2-tetrachloroethane 1434.71
    2-methyl-cyclohexyl acetate 294.23
    tetrabutyl urea 186.77
    diisobutyl methanol 194.0
    2-phenylethanol 510.9
    styrene 440.9
    dioctyl adipate 220.34
    dimethyl sulfate 344.07
    ethyl butyrate 368.04
    methyl lactate 215.17
    butyl lactate 238.59
    diethyl carbonate 236.8
    propanediol butyl ether 297.49
    triethyl orthoformate 250.93
    p-tert-butyltoluene 242.18
    methyl 4-tert-butylbenzoate 373.64
    morpholine 1932.83
    tert-butylamine 497.02
    n-dodecanol 128.24
    dimethoxymethane 832.06
    ethylene carbonate 530.17
    cyrene 273.74
    2-ethoxyethyl acetate 479.36
    2-ethylhexyl acetate 430.99
    1,2,4-trichlorobenzene 687.23
    4-methylpyridine 1152.93
    dibutyl ether 358.53
    2,6-dimethyl-4-heptanol 194.0
    DEF 625.72
    dimethyl isosorbide 574.87
    tetrachloroethylene 1020.56
    eugenol 341.68
    triacetin 309.76
    span 80 282.0
    1,4-butanediol 133.68
    1,1-dichloroethane 1430.64
    2-methyl-1-pentanol 264.23
    methyl formate 456.89
    2-methyl-1-butanol 410.4
    n-decane 66.44
    butyronitrile 833.95
    3,7-dimethyl-1-octanol 250.95
    1-chlorooctane 256.4
    1-chlorotetradecane 92.06
    n-nonane 65.69
    undecane 46.28
    tert-butylcyclohexane 114.75
    cyclooctane 110.64
    cyclopentanol 629.5
    tetrahydropyran 1900.8
    tert-amyl methyl ether 502.58
    2,5,8-trioxanonane 472.46
    1-hexene 382.29
    2-isopropoxyethanol 324.97
    2,2,2-trifluoroethanol 174.48
    methyl butyrate 464.34

    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