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

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  • Identifiers

    CAS number
    17369-60-7

    Molecular formula
    C12H20O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 71.38%
    Spicy 53.59%
    Woody 53.45%
    Caramellic 42.21%
    Tobacco 36.09%
    Dry 35.84%
    Herbal 33.57%
    Mint 31.63%
    Berry 31.4%
    Burnt 30.34%

     

    Flavor
    Woody 65.75%
    Herbal 53.46%
    Camphor 44.75%
    Minty 43.12%
    Spicy 36.95%
    Phenolic 34.03%
    Tobacco 28.19%
    Spice 27.65%
    Green 26.89%
    Wood 26.03%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.35 (weak base)

    Molecular weight
    180.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    240°C

    Flash point

    • 94.96 ˚C est.

  • Synonyms

    • 17369-60-7
    • 5-ethyl-2,3,4,5-tetramethylcyclohex-2-en-1-one
    • 5-Ethyl-2,3,4,5-tetramethylcyclohexen-1-one
    • 5-Ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
    • 5-Ethyl-2,3,4,5-tetramethyl-2-cyclohexenone
    • 9MM11393HF
    • EINECS 241-403-3
    • 2-Cyclohexen-1-one, 5-ethyl-2,3,4,5-tetramethyl-
    • FEMA NO. 3061, 2,3,4,5-TETRAMETHYL-
    • (+/-)-5-ETHYL-2,3,4,5-TETRAMETHYL-2-CYCLOHEXENONE
    • 5-ETHYL-2,3,4,5-TETRAMETHYL-2-CYCLOHEXENONE, (+/-)-
    • UNII-9MM11393HF
    • SCHEMBL3505196
    • DTXSID90864774
    • WVMYETLAAOQTLM-UHFFFAOYSA-N
    • NS00051245
    • Q27272744

  • Applications

    5-Ethyl-2,3,4,5-tetramethyl-2-cyclohexenone (CAS number: 17369-60-7) is primarily used as a synthetic intermediate and building block in aroma chemistry; in the fragrance industry it serves as a fragrance note and precursor for more complex aroma compounds, and in the flavor sector it may be explored as a component or precursor for synthetic flavors. It is also used as a fragrance ingredient in cosmetics and personal care products, as well as a scented additive in household cleaning formulations. In industrial manufacturing it is valued as an intermediate for the preparation of specialty aroma-related chemicals and related materials, with usage governed by formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 569.48
    methanol 567.45
    isopropanol 634.31
    water 3.66
    ethyl acetate 517.87
    n-propanol 571.92
    acetone 579.13
    n-butanol 518.27
    acetonitrile 817.36
    DMF 789.24
    toluene 617.13
    isobutanol 422.68
    1,4-dioxane 1524.32
    methyl acetate 602.53
    THF 1539.09
    2-butanone 640.94
    n-pentanol 291.87
    sec-butanol 433.85
    n-hexane 71.08
    ethylene glycol 97.77
    NMP 526.63
    cyclohexane 173.1
    DMSO 348.25
    n-butyl acetate 521.84
    n-octanol 278.69
    chloroform 1943.02
    n-propyl acetate 305.16
    acetic acid 258.65
    dichloromethane 1477.6
    cyclohexanone 935.22
    propylene glycol 134.7
    isopropyl acetate 348.41
    DMAc 445.14
    2-ethoxyethanol 325.96
    isopentanol 393.06
    n-heptane 71.91
    ethyl formate 412.92
    1,2-dichloroethane 842.01
    n-hexanol 571.48
    2-methoxyethanol 611.79
    isobutyl acetate 225.21
    tetrachloromethane 437.06
    n-pentyl acetate 328.69
    transcutol 681.35
    n-heptanol 282.01
    ethylbenzene 313.64
    MIBK 328.42
    2-propoxyethanol 657.65
    tert-butanol 643.98
    MTBE 523.31
    2-butoxyethanol 351.25
    propionic acid 322.49
    o-xylene 371.97
    formic acid 97.64
    diethyl ether 575.57
    m-xylene 407.13
    p-xylene 426.62
    chlorobenzene 682.65
    dimethyl carbonate 167.96
    n-octane 40.32
    formamide 184.08
    cyclopentanone 1028.63
    2-pentanone 510.92
    anisole 486.05
    cyclopentyl methyl ether 559.0
    gamma-butyrolactone 967.85
    1-methoxy-2-propanol 500.4
    pyridine 1031.15
    3-pentanone 374.47
    furfural 791.38
    n-dodecane 32.79
    diethylene glycol 355.07
    diisopropyl ether 196.96
    tert-amyl alcohol 427.83
    acetylacetone 431.5
    n-hexadecane 39.0
    acetophenone 370.02
    methyl propionate 381.39
    isopentyl acetate 463.27
    trichloroethylene 1390.62
    n-nonanol 237.55
    cyclohexanol 468.29
    benzyl alcohol 362.55
    2-ethylhexanol 310.33
    isooctanol 222.2
    dipropyl ether 303.33
    1,2-dichlorobenzene 529.52
    ethyl lactate 143.38
    propylene carbonate 492.55
    n-methylformamide 457.47
    2-pentanol 334.92
    n-pentane 81.78
    1-propoxy-2-propanol 494.0
    1-methoxy-2-propyl acetate 423.06
    2-(2-methoxypropoxy) propanol 271.28
    mesitylene 271.31
    ε-caprolactone 697.93
    p-cymene 229.1
    epichlorohydrin 1096.93
    1,1,1-trichloroethane 994.41
    2-aminoethanol 228.72
    morpholine-4-carbaldehyde 747.5
    sulfolane 621.85
    2,2,4-trimethylpentane 44.64
    2-methyltetrahydrofuran 899.63
    n-hexyl acetate 460.37
    isooctane 45.98
    2-(2-butoxyethoxy)ethanol 360.81
    sec-butyl acetate 234.22
    tert-butyl acetate 359.03
    decalin 83.2
    glycerin 150.63
    diglyme 634.6
    acrylic acid 237.3
    isopropyl myristate 176.24
    n-butyric acid 455.16
    acetyl acetate 293.3
    di(2-ethylhexyl) phthalate 159.4
    ethyl propionate 274.77
    nitromethane 545.17
    1,2-diethoxyethane 414.51
    benzonitrile 572.96
    trioctyl phosphate 123.4
    1-bromopropane 594.4
    gamma-valerolactone 1130.0
    n-decanol 171.53
    triethyl phosphate 151.89
    4-methyl-2-pentanol 219.64
    propionitrile 726.24
    vinylene carbonate 550.71
    1,1,2-trichlorotrifluoroethane 445.32
    DMS 305.45
    cumene 227.39
    2-octanol 209.27
    2-hexanone 341.61
    octyl acetate 220.12
    limonene 280.92
    1,2-dimethoxyethane 617.19
    ethyl orthosilicate 148.58
    tributyl phosphate 134.93
    diacetone alcohol 355.35
    N,N-dimethylaniline 315.28
    acrylonitrile 779.22
    aniline 526.74
    1,3-propanediol 369.32
    bromobenzene 692.71
    dibromomethane 1002.27
    1,1,2,2-tetrachloroethane 1006.16
    2-methyl-cyclohexyl acetate 267.74
    tetrabutyl urea 167.81
    diisobutyl methanol 177.98
    2-phenylethanol 483.37
    styrene 349.03
    dioctyl adipate 194.05
    dimethyl sulfate 206.47
    ethyl butyrate 312.13
    methyl lactate 166.18
    butyl lactate 204.33
    diethyl carbonate 215.61
    propanediol butyl ether 273.86
    triethyl orthoformate 218.68
    p-tert-butyltoluene 234.11
    methyl 4-tert-butylbenzoate 330.88
    morpholine 1356.6
    tert-butylamine 456.9
    n-dodecanol 128.44
    dimethoxymethane 543.4
    ethylene carbonate 461.08
    cyrene 236.5
    2-ethoxyethyl acetate 365.74
    2-ethylhexyl acetate 373.61
    1,2,4-trichlorobenzene 566.08
    4-methylpyridine 960.59
    dibutyl ether 267.09
    2,6-dimethyl-4-heptanol 177.98
    DEF 425.52
    dimethyl isosorbide 487.35
    tetrachloroethylene 706.35
    eugenol 307.46
    triacetin 286.06
    span 80 256.09
    1,4-butanediol 131.26
    1,1-dichloroethane 1025.59
    2-methyl-1-pentanol 252.19
    methyl formate 347.96
    2-methyl-1-butanol 345.5
    n-decane 57.87
    butyronitrile 666.72
    3,7-dimethyl-1-octanol 235.03
    1-chlorooctane 211.68
    1-chlorotetradecane 82.99
    n-nonane 54.58
    undecane 42.53
    tert-butylcyclohexane 79.59
    cyclooctane 57.81
    cyclopentanol 497.48
    tetrahydropyran 1203.47
    tert-amyl methyl ether 338.1
    2,5,8-trioxanonane 401.96
    1-hexene 228.83
    2-isopropoxyethanol 246.13
    2,2,2-trifluoroethanol 132.47
    methyl butyrate 344.04

    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