2-Cyclohexen-1-one, triethyltrimethyl-

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  • Identifiers

    CAS number
    68845-35-2

    Molecular formula
    C15H26O

    SMILES
    CCC1=C(C(=O)CC(C1(CC)CC)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 79.7%
    Fruity 49.92%
    Dry 47.33%
    Orris 43.55%
    Spicy 42.14%
    Tobacco 39.05%
    Amber 38.99%
    Musk 38.06%
    Powdery 37.3%
    Floral 36.96%

     

    Flavor
    Woody 70.08%
    Herbal 47.08%
    Camphor 44.0%
    Minty 30.61%
    Spicy 30.56%
    Phenolic 29.72%
    Wood 27.62%
    Earthy 26.95%
    Spice 26.05%
    Musty 25.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    9.12 (weak base)

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    273°C

    Flash point

    • 126.3 ˚C est.

  • Synonyms

    • 2-Cyclohexen-1-one, triethyltrimethyl-
    • Triethyltrimethyl-2-cyclohexenone
    • EINECS 272-461-8
    • RefChem:470868
    • 68845-35-2
    • 3,4,4-triethyl-2,5,5-trimethylcyclohex-2-en-1-one
    • DTXSID90867725
    • BUWKKTZEUORNQO-UHFFFAOYSA-N
    • 68845-35-2

  • Applications

    2-Cyclohexen-1-one, triethyltrimethyl- (CAS 68845-35-2) is primarily used as a building block and intermediate in organic synthesis for specialty chemicals. In perfumery and cosmetics, it may be employed as a fragrance ingredient or odorant component. It may also serve as a precursor in the formulation of aroma compounds for household products such as cleaners or air fresheners. In industrial manufacturing, it can function as a reactive intermediate for the synthesis of specialty polymers, resins, or functional materials. In polymer and plastics chemistry, it can serve as a monomer or co-monomer in enone-containing polymer systems. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 654.58
    methanol 781.0
    isopropanol 558.47
    water 2.35
    ethyl acetate 1336.02
    n-propanol 755.41
    acetone 1589.41
    n-butanol 620.74
    acetonitrile 1565.65
    DMF 2656.99
    toluene 1587.98
    isobutanol 547.99
    1,4-dioxane 2565.07
    methyl acetate 1249.32
    THF 4502.44
    2-butanone 1436.78
    n-pentanol 334.23
    sec-butanol 508.54
    n-hexane 185.65
    ethylene glycol 137.22
    NMP 2245.93
    cyclohexane 479.59
    DMSO 1108.24
    n-butyl acetate 858.7
    n-octanol 303.51
    chloroform 3607.23
    n-propyl acetate 624.94
    acetic acid 457.25
    dichloromethane 3490.31
    cyclohexanone 2869.74
    propylene glycol 143.01
    isopropyl acetate 829.63
    DMAc 1140.43
    2-ethoxyethanol 459.95
    isopentanol 447.6
    n-heptane 120.87
    ethyl formate 806.9
    1,2-dichloroethane 2660.87
    n-hexanol 595.08
    2-methoxyethanol 1043.3
    isobutyl acetate 423.21
    tetrachloromethane 891.31
    n-pentyl acetate 667.65
    transcutol 786.09
    n-heptanol 304.68
    ethylbenzene 588.35
    MIBK 723.0
    2-propoxyethanol 902.37
    tert-butanol 604.5
    MTBE 838.29
    2-butoxyethanol 467.86
    propionic acid 596.06
    o-xylene 762.78
    formic acid 182.75
    diethyl ether 1459.07
    m-xylene 1004.81
    p-xylene 660.26
    chlorobenzene 1632.61
    dimethyl carbonate 614.63
    n-octane 65.56
    formamide 344.35
    cyclopentanone 3499.49
    2-pentanone 1303.26
    anisole 841.58
    cyclopentyl methyl ether 2073.85
    gamma-butyrolactone 3410.33
    1-methoxy-2-propanol 814.9
    pyridine 2203.07
    3-pentanone 1143.43
    furfural 1955.17
    n-dodecane 39.77
    diethylene glycol 497.21
    diisopropyl ether 423.99
    tert-amyl alcohol 478.73
    acetylacetone 1233.84
    n-hexadecane 49.25
    acetophenone 674.27
    methyl propionate 1194.25
    isopentyl acetate 713.45
    trichloroethylene 4011.31
    n-nonanol 254.76
    cyclohexanol 924.94
    benzyl alcohol 503.41
    2-ethylhexanol 339.21
    isooctanol 240.08
    dipropyl ether 533.21
    1,2-dichlorobenzene 1284.31
    ethyl lactate 236.33
    propylene carbonate 1290.93
    n-methylformamide 1223.5
    2-pentanol 444.14
    n-pentane 208.27
    1-propoxy-2-propanol 582.7
    1-methoxy-2-propyl acetate 778.08
    2-(2-methoxypropoxy) propanol 296.03
    mesitylene 600.3
    ε-caprolactone 1900.57
    p-cymene 311.17
    epichlorohydrin 3121.41
    1,1,1-trichloroethane 2383.62
    2-aminoethanol 266.43
    morpholine-4-carbaldehyde 1836.05
    sulfolane 2543.49
    2,2,4-trimethylpentane 81.6
    2-methyltetrahydrofuran 2497.57
    n-hexyl acetate 861.46
    isooctane 72.54
    2-(2-butoxyethoxy)ethanol 432.63
    sec-butyl acetate 419.62
    tert-butyl acetate 807.36
    decalin 160.0
    glycerin 203.94
    diglyme 965.4
    acrylic acid 491.6
    isopropyl myristate 267.48
    n-butyric acid 790.01
    acetyl acetate 735.32
    di(2-ethylhexyl) phthalate 214.07
    ethyl propionate 645.81
    nitromethane 1424.66
    1,2-diethoxyethane 571.03
    benzonitrile 1050.44
    trioctyl phosphate 182.91
    1-bromopropane 1512.38
    gamma-valerolactone 3044.96
    n-decanol 171.26
    triethyl phosphate 237.84
    4-methyl-2-pentanol 251.25
    propionitrile 1436.14
    vinylene carbonate 1310.87
    1,1,2-trichlorotrifluoroethane 1030.96
    DMS 715.06
    cumene 336.91
    2-octanol 257.33
    2-hexanone 603.14
    octyl acetate 340.61
    limonene 431.94
    1,2-dimethoxyethane 1066.08
    ethyl orthosilicate 237.14
    tributyl phosphate 209.53
    diacetone alcohol 616.4
    N,N-dimethylaniline 527.47
    acrylonitrile 1697.83
    aniline 998.1
    1,3-propanediol 408.62
    bromobenzene 1908.87
    dibromomethane 2213.3
    1,1,2,2-tetrachloroethane 2544.4
    2-methyl-cyclohexyl acetate 426.87
    tetrabutyl urea 291.68
    diisobutyl methanol 196.15
    2-phenylethanol 580.97
    styrene 686.02
    dioctyl adipate 305.9
    dimethyl sulfate 868.57
    ethyl butyrate 514.32
    methyl lactate 369.44
    butyl lactate 350.97
    diethyl carbonate 329.41
    propanediol butyl ether 307.88
    triethyl orthoformate 342.62
    p-tert-butyltoluene 321.49
    methyl 4-tert-butylbenzoate 560.55
    morpholine 2603.86
    tert-butylamine 439.3
    n-dodecanol 123.37
    dimethoxymethane 1822.74
    ethylene carbonate 1185.86
    cyrene 384.62
    2-ethoxyethyl acetate 745.05
    2-ethylhexyl acetate 611.58
    1,2,4-trichlorobenzene 1276.73
    4-methylpyridine 2167.9
    dibutyl ether 392.53
    2,6-dimethyl-4-heptanol 196.15
    DEF 1250.57
    dimethyl isosorbide 754.68
    tetrachloroethylene 1934.56
    eugenol 469.38
    triacetin 485.47
    span 80 301.2
    1,4-butanediol 154.63
    1,1-dichloroethane 2302.64
    2-methyl-1-pentanol 283.93
    methyl formate 1093.59
    2-methyl-1-butanol 481.79
    n-decane 79.27
    butyronitrile 1338.24
    3,7-dimethyl-1-octanol 232.15
    1-chlorooctane 334.37
    1-chlorotetradecane 113.3
    n-nonane 80.99
    undecane 54.14
    tert-butylcyclohexane 133.08
    cyclooctane 174.2
    cyclopentanol 1063.5
    tetrahydropyran 2855.75
    tert-amyl methyl ether 633.06
    2,5,8-trioxanonane 511.84
    1-hexene 465.03
    2-isopropoxyethanol 324.54
    2,2,2-trifluoroethanol 266.69
    methyl butyrate 785.49

    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