Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-

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  • Identifiers

    CAS number
    22463-19-0

    Molecular formula
    C10H16O

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

  • Odor profile

    Fragrance
    Woody 57.15%
    Floral 47.58%
    Mint 44.3%
    Tobacco 41.8%
    Camphoreous 41.76%
    Herbal 38.8%
    Musk 37.57%
    Dry 35.01%
    Orris 34.48%
    Fruity 34.32%

     

    Flavor
    Woody 62.15%
    Sweet 59.06%
    Fruity 53.59%
    Tobacco 43.37%
    Dry 38.19%
    Powdery 36.93%
    Floral 35.3%
    Herbal 34.56%
    Orris 34.26%
    Camphor 34.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.04 (weak base)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    192°C

    Flash point

    • 80.93 ˚C est.

  • Synonyms

    • 22463-19-0
    • Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-
    • 1-(3,3-dimethylcyclohexen-1-yl)ethanone
    • Acetyl-1-(dimethyl-3,3-cyclohexene-1)
    • 1-(3,3-dimethylcyclohex-1-en-1-yl)ethanone
    • DTXSID2066802
    • SCHEMBL442745
    • DTXCID1036707
    • JIYZCVGAWRMUDR-UHFFFAOYSA-N
    • DB-286985
    • NS00012289

  • Applications

    Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)- (CAS 22463-19-0) is primarily used as an aroma/fragrance intermediate in perfumery and cosmetics, contributing to specific odor notes associated with the cyclohexenyl moiety. It is often employed as an intermediate in the synthesis of more complex aroma compounds in industrial manufacturing. In addition, it may be incorporated into household products, coatings and inks, and polymers and plastics formulations as a fragrance modifier to impart or stabilize scent profiles. Its use is formulation-dependent and subject to local regulations and labeling requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 471.77
    methanol 473.72
    isopropanol 588.17
    water 1.63
    ethyl acetate 566.2
    n-propanol 546.27
    acetone 577.68
    n-butanol 517.47
    acetonitrile 426.75
    DMF 741.29
    toluene 394.37
    isobutanol 466.77
    1,4-dioxane 825.99
    methyl acetate 559.14
    THF 1062.12
    2-butanone 672.46
    n-pentanol 321.58
    sec-butanol 580.39
    n-hexane 180.0
    ethylene glycol 137.07
    NMP 496.71
    cyclohexane 162.26
    DMSO 365.15
    n-butyl acetate 449.25
    n-octanol 380.14
    chloroform 1180.8
    n-propyl acetate 260.77
    acetic acid 200.0
    dichloromethane 777.82
    cyclohexanone 677.11
    propylene glycol 248.89
    isopropyl acetate 379.56
    DMAc 621.8
    2-ethoxyethanol 362.24
    isopentanol 475.41
    n-heptane 109.56
    ethyl formate 267.22
    1,2-dichloroethane 520.87
    n-hexanol 729.46
    2-methoxyethanol 562.61
    isobutyl acetate 219.11
    tetrachloromethane 238.45
    n-pentyl acetate 292.02
    transcutol 966.61
    n-heptanol 333.61
    ethylbenzene 262.95
    MIBK 379.9
    2-propoxyethanol 789.77
    tert-butanol 700.58
    MTBE 697.07
    2-butoxyethanol 422.46
    propionic acid 327.83
    o-xylene 277.1
    formic acid 72.1
    diethyl ether 586.74
    m-xylene 340.82
    p-xylene 313.79
    chlorobenzene 374.94
    dimethyl carbonate 184.21
    n-octane 63.57
    formamide 94.84
    cyclopentanone 739.09
    2-pentanone 537.24
    anisole 443.82
    cyclopentyl methyl ether 608.35
    gamma-butyrolactone 611.38
    1-methoxy-2-propanol 645.98
    pyridine 490.9
    3-pentanone 436.39
    furfural 484.76
    n-dodecane 52.03
    diethylene glycol 454.0
    diisopropyl ether 241.36
    tert-amyl alcohol 587.6
    acetylacetone 465.44
    n-hexadecane 58.44
    acetophenone 308.81
    methyl propionate 440.58
    isopentyl acetate 420.11
    trichloroethylene 908.26
    n-nonanol 313.6
    cyclohexanol 466.39
    benzyl alcohol 275.96
    2-ethylhexanol 373.78
    isooctanol 268.57
    dipropyl ether 344.46
    1,2-dichlorobenzene 340.91
    ethyl lactate 186.05
    propylene carbonate 379.48
    n-methylformamide 299.93
    2-pentanol 462.22
    n-pentane 145.6
    1-propoxy-2-propanol 592.47
    1-methoxy-2-propyl acetate 470.63
    2-(2-methoxypropoxy) propanol 353.85
    mesitylene 235.87
    ε-caprolactone 557.09
    p-cymene 179.44
    epichlorohydrin 709.38
    1,1,1-trichloroethane 715.89
    2-aminoethanol 283.3
    morpholine-4-carbaldehyde 644.35
    sulfolane 550.98
    2,2,4-trimethylpentane 74.4
    2-methyltetrahydrofuran 812.89
    n-hexyl acetate 515.44
    isooctane 76.07
    2-(2-butoxyethoxy)ethanol 486.02
    sec-butyl acetate 244.22
    tert-butyl acetate 418.3
    decalin 104.35
    glycerin 257.54
    diglyme 707.98
    acrylic acid 241.92
    isopropyl myristate 198.99
    n-butyric acid 413.96
    acetyl acetate 272.49
    di(2-ethylhexyl) phthalate 163.02
    ethyl propionate 286.86
    nitromethane 375.65
    1,2-diethoxyethane 431.38
    benzonitrile 345.42
    trioctyl phosphate 135.69
    1-bromopropane 542.06
    gamma-valerolactone 800.03
    n-decanol 239.33
    triethyl phosphate 141.12
    4-methyl-2-pentanol 316.59
    propionitrile 524.48
    vinylene carbonate 334.53
    1,1,2-trichlorotrifluoroethane 451.32
    DMS 334.69
    cumene 201.8
    2-octanol 265.86
    2-hexanone 343.6
    octyl acetate 258.02
    limonene 243.39
    1,2-dimethoxyethane 591.13
    ethyl orthosilicate 144.26
    tributyl phosphate 150.44
    diacetone alcohol 457.13
    N,N-dimethylaniline 290.45
    acrylonitrile 486.8
    aniline 356.29
    1,3-propanediol 328.76
    bromobenzene 415.38
    dibromomethane 618.09
    1,1,2,2-tetrachloroethane 861.22
    2-methyl-cyclohexyl acetate 245.64
    tetrabutyl urea 188.95
    diisobutyl methanol 218.69
    2-phenylethanol 388.64
    styrene 279.27
    dioctyl adipate 212.29
    dimethyl sulfate 267.14
    ethyl butyrate 278.35
    methyl lactate 251.14
    butyl lactate 239.33
    diethyl carbonate 181.63
    propanediol butyl ether 419.39
    triethyl orthoformate 202.67
    p-tert-butyltoluene 191.65
    methyl 4-tert-butylbenzoate 333.08
    morpholine 838.18
    tert-butylamine 508.78
    n-dodecanol 181.32
    dimethoxymethane 490.77
    ethylene carbonate 280.94
    cyrene 260.97
    2-ethoxyethyl acetate 341.07
    2-ethylhexyl acetate 326.25
    1,2,4-trichlorobenzene 386.76
    4-methylpyridine 563.98
    dibutyl ether 331.79
    2,6-dimethyl-4-heptanol 218.69
    DEF 466.71
    dimethyl isosorbide 465.61
    tetrachloroethylene 483.26
    eugenol 320.61
    triacetin 344.73
    span 80 337.41
    1,4-butanediol 151.38
    1,1-dichloroethane 765.5
    2-methyl-1-pentanol 313.56
    methyl formate 228.83
    2-methyl-1-butanol 451.05
    n-decane 86.66
    butyronitrile 503.2
    3,7-dimethyl-1-octanol 333.62
    1-chlorooctane 269.04
    1-chlorotetradecane 111.99
    n-nonane 90.32
    undecane 65.84
    tert-butylcyclohexane 114.99
    cyclooctane 78.99
    cyclopentanol 453.19
    tetrahydropyran 852.04
    tert-amyl methyl ether 494.96
    2,5,8-trioxanonane 464.86
    1-hexene 402.76
    2-isopropoxyethanol 326.55
    2,2,2-trifluoroethanol 105.29
    methyl butyrate 327.65

    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