1-(2,2,4-Trimethyl-3-cyclohexen-1-yl)ethan-1-one

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  • Identifiers

    CAS number
    55695-36-8

    Molecular formula
    C11H18O

    SMILES
    CC1=CC(C(CC1)C(=O)C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 76.89%
    Herbal 69.88%
    Floral 57.64%
    Camphoreous 53.9%
    Mint 53.38%
    Sweet 50.85%
    Green 46.41%
    Tobacco 44.66%
    Spicy 44.13%
    Citrus 42.44%

     

    Flavor
    Woody 60.77%
    Sweet 58.7%
    Fruity 45.61%
    Herbal 36.86%
    Camphor 36.85%
    Tobacco 34.87%
    Dry 33.18%
    Floral 30.26%
    Tropical 29.78%
    Citrus 29.31%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.87 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    213°C

    Flash point

    • 98.23 ˚C est.

  • Synonyms

    • EINECS 259-760-9
    • 55695-36-8
    • 1-(2,2,4-Trimethyl-3-cyclohexen-1-yl)ethan-1-one
    • 4-acetyl-1,3,3-trimethyl-1-cyclohexene
    • 2FWF856BDZ
    • 1-(2,2,4-Trimethylcyclohex-3-en-1-yl)ethan-1-one
    • SCHEMBL2304535
    • DTXSID20971061
    • NS00054891
    • 1-(2,2,4-trimethyl-cyclohex-3-enyl)-ethanone
    • 1-(2,2,4-trimethyl-1-cyclohex-3-enyl)ethanone
    • Ethanone, 1-(2,2,4-trimethyl-3-cyclohexen-1-yl)-
    • 55695-36-8

  • Applications

    1-(2,2,4-Trimethyl-3-cyclohexen-1-yl)ethan-1-one (CAS 55695-36-8) is primarily used as a fragrance ingredient and as an intermediate in aroma-chemical synthesis. In perfumery, it contributes green and woody notes and can serve as a building block for more complex accords. In cosmetics and personal care, it is employed as a fragrance component in products such as creams, lotions, and shampoos. In household products, it acts as a scent component in air fresheners, detergents, and cleaners. In industrial manufacturing, it is commonly evaluated as an odor-active intermediate for the synthesis of other aroma compounds and fragrance blends. In coatings and inks, it may be used as a fragrance additive to impart a lasting scent to finished surfaces. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 669.53
    methanol 870.33
    isopropanol 451.65
    water 1.89
    ethyl acetate 804.69
    n-propanol 518.55
    acetone 799.43
    n-butanol 504.7
    acetonitrile 993.5
    DMF 867.43
    toluene 651.15
    isobutanol 370.15
    1,4-dioxane 1944.39
    methyl acetate 647.76
    THF 2532.34
    2-butanone 622.76
    n-pentanol 283.97
    sec-butanol 375.86
    n-hexane 180.2
    ethylene glycol 81.17
    NMP 1052.04
    cyclohexane 466.98
    DMSO 391.5
    n-butyl acetate 675.53
    n-octanol 286.15
    chloroform 2095.7
    n-propyl acetate 345.19
    acetic acid 595.77
    dichloromethane 1776.29
    cyclohexanone 1344.28
    propylene glycol 123.82
    isopropyl acetate 443.8
    DMAc 528.75
    2-ethoxyethanol 282.7
    isopentanol 410.98
    n-heptane 194.81
    ethyl formate 529.17
    1,2-dichloroethane 901.88
    n-hexanol 697.81
    2-methoxyethanol 621.48
    isobutyl acetate 229.81
    tetrachloromethane 388.47
    n-pentyl acetate 340.94
    transcutol 1383.57
    n-heptanol 259.3
    ethylbenzene 255.91
    MIBK 350.2
    2-propoxyethanol 783.97
    tert-butanol 520.31
    MTBE 537.84
    2-butoxyethanol 336.48
    propionic acid 389.95
    o-xylene 330.65
    formic acid 204.49
    diethyl ether 863.35
    m-xylene 418.83
    p-xylene 312.2
    chlorobenzene 771.21
    dimethyl carbonate 230.87
    n-octane 52.21
    formamide 263.78
    cyclopentanone 1319.96
    2-pentanone 601.27
    anisole 408.9
    cyclopentyl methyl ether 1054.72
    gamma-butyrolactone 1507.08
    1-methoxy-2-propanol 478.16
    pyridine 1068.76
    3-pentanone 473.42
    furfural 972.42
    n-dodecane 39.45
    diethylene glycol 408.08
    diisopropyl ether 251.97
    tert-amyl alcohol 383.44
    acetylacetone 572.22
    n-hexadecane 46.53
    acetophenone 328.82
    methyl propionate 517.37
    isopentyl acetate 527.26
    trichloroethylene 1642.74
    n-nonanol 234.73
    cyclohexanol 662.14
    benzyl alcohol 290.55
    2-ethylhexanol 376.77
    isooctanol 185.16
    dipropyl ether 480.38
    1,2-dichlorobenzene 592.88
    ethyl lactate 143.67
    propylene carbonate 817.48
    n-methylformamide 513.41
    2-pentanol 330.28
    n-pentane 191.54
    1-propoxy-2-propanol 500.17
    1-methoxy-2-propyl acetate 561.96
    2-(2-methoxypropoxy) propanol 341.29
    mesitylene 264.54
    ε-caprolactone 1024.23
    p-cymene 206.88
    epichlorohydrin 1400.43
    1,1,1-trichloroethane 965.97
    2-aminoethanol 197.93
    morpholine-4-carbaldehyde 1017.43
    sulfolane 954.07
    2,2,4-trimethylpentane 66.64
    2-methyltetrahydrofuran 1628.36
    n-hexyl acetate 582.07
    isooctane 60.67
    2-(2-butoxyethoxy)ethanol 487.94
    sec-butyl acetate 245.62
    tert-butyl acetate 447.44
    decalin 125.02
    glycerin 156.81
    diglyme 820.15
    acrylic acid 321.06
    isopropyl myristate 203.26
    n-butyric acid 603.63
    acetyl acetate 488.9
    di(2-ethylhexyl) phthalate 189.08
    ethyl propionate 334.1
    nitromethane 893.77
    1,2-diethoxyethane 595.16
    benzonitrile 567.51
    trioctyl phosphate 143.42
    1-bromopropane 673.57
    gamma-valerolactone 1480.09
    n-decanol 166.1
    triethyl phosphate 178.55
    4-methyl-2-pentanol 203.74
    propionitrile 652.08
    vinylene carbonate 756.99
    1,1,2-trichlorotrifluoroethane 598.24
    DMS 394.4
    cumene 167.48
    2-octanol 176.57
    2-hexanone 354.58
    octyl acetate 259.64
    limonene 336.06
    1,2-dimethoxyethane 684.85
    ethyl orthosilicate 183.72
    tributyl phosphate 177.19
    diacetone alcohol 373.65
    N,N-dimethylaniline 251.33
    acrylonitrile 643.3
    aniline 528.93
    1,3-propanediol 302.65
    bromobenzene 811.43
    dibromomethane 1218.26
    1,1,2,2-tetrachloroethane 1100.89
    2-methyl-cyclohexyl acetate 338.16
    tetrabutyl urea 213.82
    diisobutyl methanol 183.57
    2-phenylethanol 447.3
    styrene 293.39
    dioctyl adipate 254.88
    dimethyl sulfate 260.74
    ethyl butyrate 414.85
    methyl lactate 190.07
    butyl lactate 231.24
    diethyl carbonate 279.03
    propanediol butyl ether 298.55
    triethyl orthoformate 290.97
    p-tert-butyltoluene 205.68
    methyl 4-tert-butylbenzoate 330.84
    morpholine 1841.34
    tert-butylamine 423.0
    n-dodecanol 124.88
    dimethoxymethane 738.88
    ethylene carbonate 652.44
    cyrene 282.22
    2-ethoxyethyl acetate 432.15
    2-ethylhexyl acetate 455.0
    1,2,4-trichlorobenzene 625.4
    4-methylpyridine 1057.48
    dibutyl ether 367.83
    2,6-dimethyl-4-heptanol 183.57
    DEF 590.85
    dimethyl isosorbide 706.49
    tetrachloroethylene 776.4
    eugenol 277.11
    triacetin 363.7
    span 80 334.73
    1,4-butanediol 96.4
    1,1-dichloroethane 955.84
    2-methyl-1-pentanol 264.78
    methyl formate 464.18
    2-methyl-1-butanol 378.74
    n-decane 69.26
    butyronitrile 757.3
    3,7-dimethyl-1-octanol 260.24
    1-chlorooctane 233.73
    1-chlorotetradecane 88.99
    n-nonane 73.65
    undecane 50.55
    tert-butylcyclohexane 101.48
    cyclooctane 148.77
    cyclopentanol 649.2
    tetrahydropyran 1867.9
    tert-amyl methyl ether 396.24
    2,5,8-trioxanonane 545.92
    1-hexene 355.8
    2-isopropoxyethanol 213.61
    2,2,2-trifluoroethanol 201.64
    methyl butyrate 409.17

    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