2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl-

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  • Identifiers

    CAS number
    65416-17-3

    Molecular formula
    C12H20O

    SMILES
    CCC1CC(=C(C(=O)C1C)C)CC

    Safety labels

  • Odor profile

    Fragrance
    Herbal 53.56%
    Spicy 51.72%
    Mint 48.53%
    Woody 47.39%
    Camphoreous 32.42%
    Phenolic 32.37%
    Fruity 32.15%
    Tobacco 28.97%
    Fresh 28.95%
    Caramellic 28.57%

     

    Flavor
    Herbal 58.17%
    Minty 46.42%
    Spicy 43.65%
    Woody 41.09%
    Spice 33.91%
    Herb 28.78%
    Mint 27.76%
    Fresh 27.74%
    Celery 25.28%
    Spearmint 25.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.73 (weak base)

    Molecular weight
    180.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    239°C

    Flash point

    • 96.57 ˚C est.

  • Synonyms

    • 65416-17-3
    • EINECS 265-758-9
    • 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl-
    • DTXSID90867149
    • 1,3-Diethyl-4,6-dimethyl-6-cyclohexen-5-one
    • RefChem:470853
    • DTXCID20815355
    • 3,5-Diethyl-2,6-dimethylcyclohex-2-en-1-one
    • SCHEMBL20608583
    • QPWHFFFXFHDUMZ-UHFFFAOYSA-N
    • NS00012219
    • 65416-17-3

  • Applications

    Chemical name: 2-Cyclohexen-1-one, 3,5-diethyl-2,6-dimethyl- (CAS 65416-17-3) is often used as a fragrance ingredient and synthetic intermediate in perfumery, commonly evaluated for cosmetics and personal care formulations as an intermediate, employed in household products as a fragrance component, used as a reactive intermediate in the synthesis of specialty polymers and plastics, and serves as a general chemical intermediate in industrial manufacturing workflows.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 627.73
    methanol 615.0
    isopropanol 627.43
    water 1.27
    ethyl acetate 478.19
    n-propanol 572.49
    acetone 644.63
    n-butanol 560.82
    acetonitrile 838.33
    DMF 683.57
    toluene 639.88
    isobutanol 440.86
    1,4-dioxane 1260.79
    methyl acetate 577.47
    THF 1049.86
    2-butanone 661.18
    n-pentanol 365.39
    sec-butanol 441.96
    n-hexane 67.98
    ethylene glycol 69.1
    NMP 559.83
    cyclohexane 162.3
    DMSO 355.73
    n-butyl acetate 664.89
    n-octanol 309.57
    chloroform 3021.09
    n-propyl acetate 377.44
    acetic acid 352.76
    dichloromethane 2400.59
    cyclohexanone 1130.56
    propylene glycol 91.11
    isopropyl acetate 323.71
    DMAc 444.66
    2-ethoxyethanol 365.01
    isopentanol 447.31
    n-heptane 62.13
    ethyl formate 503.53
    1,2-dichloroethane 1152.59
    n-hexanol 523.44
    2-methoxyethanol 533.22
    isobutyl acetate 275.15
    tetrachloromethane 540.97
    n-pentyl acetate 450.87
    transcutol 866.94
    n-heptanol 310.41
    ethylbenzene 314.93
    MIBK 303.19
    2-propoxyethanol 574.89
    tert-butanol 578.75
    MTBE 497.64
    2-butoxyethanol 417.15
    propionic acid 375.48
    o-xylene 356.76
    formic acid 97.15
    diethyl ether 541.82
    m-xylene 386.14
    p-xylene 428.04
    chlorobenzene 962.79
    dimethyl carbonate 135.57
    n-octane 39.65
    formamide 188.96
    cyclopentanone 966.98
    2-pentanone 485.52
    anisole 484.41
    cyclopentyl methyl ether 429.11
    gamma-butyrolactone 1001.84
    1-methoxy-2-propanol 385.98
    pyridine 1371.5
    3-pentanone 354.18
    furfural 1011.2
    n-dodecane 33.03
    diethylene glycol 301.94
    diisopropyl ether 155.03
    tert-amyl alcohol 429.62
    acetylacetone 408.41
    n-hexadecane 39.06
    acetophenone 437.05
    methyl propionate 326.03
    isopentyl acetate 592.75
    trichloroethylene 2298.64
    n-nonanol 261.48
    cyclohexanol 519.3
    benzyl alcohol 426.44
    2-ethylhexanol 321.91
    isooctanol 254.46
    dipropyl ether 268.94
    1,2-dichlorobenzene 763.81
    ethyl lactate 151.62
    propylene carbonate 599.27
    n-methylformamide 438.65
    2-pentanol 323.29
    n-pentane 74.02
    1-propoxy-2-propanol 424.51
    1-methoxy-2-propyl acetate 382.97
    2-(2-methoxypropoxy) propanol 290.8
    mesitylene 246.13
    ε-caprolactone 853.99
    p-cymene 245.92
    epichlorohydrin 1233.33
    1,1,1-trichloroethane 1275.28
    2-aminoethanol 184.3
    morpholine-4-carbaldehyde 730.83
    sulfolane 710.34
    2,2,4-trimethylpentane 43.68
    2-methyltetrahydrofuran 762.29
    n-hexyl acetate 538.21
    isooctane 40.93
    2-(2-butoxyethoxy)ethanol 404.24
    sec-butyl acetate 253.0
    tert-butyl acetate 315.6
    decalin 76.37
    glycerin 114.59
    diglyme 734.78
    acrylic acid 291.61
    isopropyl myristate 195.88
    n-butyric acid 577.36
    acetyl acetate 293.05
    di(2-ethylhexyl) phthalate 190.01
    ethyl propionate 277.23
    nitromethane 611.66
    1,2-diethoxyethane 490.43
    benzonitrile 871.96
    trioctyl phosphate 139.38
    1-bromopropane 724.26
    gamma-valerolactone 1183.23
    n-decanol 181.72
    triethyl phosphate 170.99
    4-methyl-2-pentanol 200.12
    propionitrile 749.0
    vinylene carbonate 689.89
    1,1,2-trichlorotrifluoroethane 542.83
    DMS 303.67
    cumene 230.85
    2-octanol 239.26
    2-hexanone 411.18
    octyl acetate 248.11
    limonene 293.92
    1,2-dimethoxyethane 701.44
    ethyl orthosilicate 169.5
    tributyl phosphate 155.57
    diacetone alcohol 321.19
    N,N-dimethylaniline 311.15
    acrylonitrile 872.86
    aniline 609.86
    1,3-propanediol 339.73
    bromobenzene 1043.03
    dibromomethane 1593.15
    1,1,2,2-tetrachloroethane 1481.58
    2-methyl-cyclohexyl acetate 303.88
    tetrabutyl urea 197.16
    diisobutyl methanol 186.07
    2-phenylethanol 493.73
    styrene 402.28
    dioctyl adipate 235.77
    dimethyl sulfate 175.1
    ethyl butyrate 358.7
    methyl lactate 136.75
    butyl lactate 263.68
    diethyl carbonate 257.92
    propanediol butyl ether 308.67
    triethyl orthoformate 246.13
    p-tert-butyltoluene 225.39
    methyl 4-tert-butylbenzoate 350.91
    morpholine 1138.16
    tert-butylamine 413.0
    n-dodecanol 132.55
    dimethoxymethane 429.38
    ethylene carbonate 548.77
    cyrene 254.82
    2-ethoxyethyl acetate 450.73
    2-ethylhexyl acetate 453.63
    1,2,4-trichlorobenzene 780.69
    4-methylpyridine 1198.49
    dibutyl ether 289.4
    2,6-dimethyl-4-heptanol 186.07
    DEF 458.22
    dimethyl isosorbide 493.64
    tetrachloroethylene 1036.6
    eugenol 348.75
    triacetin 334.22
    span 80 271.45
    1,4-butanediol 145.34
    1,1-dichloroethane 1356.25
    2-methyl-1-pentanol 336.96
    methyl formate 345.25
    2-methyl-1-butanol 411.48
    n-decane 57.1
    butyronitrile 822.52
    3,7-dimethyl-1-octanol 259.44
    1-chlorooctane 235.83
    1-chlorotetradecane 91.44
    n-nonane 54.39
    undecane 42.15
    tert-butylcyclohexane 73.07
    cyclooctane 48.18
    cyclopentanol 456.67
    tetrahydropyran 1049.87
    tert-amyl methyl ether 298.56
    2,5,8-trioxanonane 435.63
    1-hexene 245.88
    2-isopropoxyethanol 283.75
    2,2,2-trifluoroethanol 138.7
    methyl butyrate 397.11

    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