1-(2,6,6-Trimethylcyclohex-1-en-1-yl)propan-2-one

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  • Identifiers

    CAS number
    52755-42-7

    Molecular formula
    C12H20O

    SMILES
    CC1=C(C(CCC1)(C)C)CC(=O)C

  • Odor profile

    Fragrance
    Woody 83.48%
    Floral 79.97%
    Fruity 70.61%
    Orris 57.92%
    Berry 54.97%
    Sweet 54.79%
    Powdery 52.87%
    Violet 52.63%
    Raspberry 48.28%
    Tobacco 47.91%

     

    Flavor
    Woody 73.3%
    Floral 43.35%
    Earthy 37.98%
    Orris 37.16%
    Dry 33.89%
    Camphor 32.4%
    Wood 31.29%
    Herbal 28.62%
    Sweet 28.44%
    Fruity 28.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    9.19 (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

    • 98.16 ˚C est.

  • Synonyms

    • 52755-42-7
    • 1-(2,6,6-Trimethylcyclohex-1-en-1-yl)propan-2-one
    • DTXSID20788934

  • Applications

    1-(2,6,6-Trimethylcyclohex-1-en-1-yl)propan-2-one (CAS 52755-42-7) is typically used as a fragrance ingredient and odorant in perfumery, often contributing woody and fresh notes and sometimes serving as a fixative; it is also employed in cosmetics and personal care formulations to impart aroma, in household cleaning products as a scent component, and in coatings and inks to provide fragrance characteristics; the compound can function as an aroma chemical intermediate in the synthesis of more complex fragrance molecules in industrial manufacturing. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 523.57
    methanol 540.68
    isopropanol 629.68
    water 1.89
    ethyl acetate 509.22
    n-propanol 566.05
    acetone 601.35
    n-butanol 527.89
    acetonitrile 526.91
    DMF 823.04
    toluene 508.17
    isobutanol 473.17
    1,4-dioxane 944.47
    methyl acetate 543.49
    THF 1268.65
    2-butanone 621.8
    n-pentanol 273.11
    sec-butanol 509.2
    n-hexane 85.52
    ethylene glycol 149.26
    NMP 514.89
    cyclohexane 169.52
    DMSO 381.78
    n-butyl acetate 444.14
    n-octanol 280.38
    chloroform 1395.95
    n-propyl acetate 235.52
    acetic acid 200.6
    dichloromethane 1036.64
    cyclohexanone 853.66
    propylene glycol 247.5
    isopropyl acetate 316.43
    DMAc 600.85
    2-ethoxyethanol 301.14
    isopentanol 419.54
    n-heptane 96.4
    ethyl formate 336.0
    1,2-dichloroethane 627.95
    n-hexanol 653.89
    2-methoxyethanol 610.5
    isobutyl acetate 190.3
    tetrachloromethane 280.37
    n-pentyl acetate 265.05
    transcutol 661.55
    n-heptanol 269.91
    ethylbenzene 283.48
    MIBK 319.98
    2-propoxyethanol 715.31
    tert-butanol 713.78
    MTBE 528.11
    2-butoxyethanol 337.5
    propionic acid 301.05
    o-xylene 339.29
    formic acid 73.0
    diethyl ether 500.17
    m-xylene 391.01
    p-xylene 336.89
    chlorobenzene 467.03
    dimethyl carbonate 171.11
    n-octane 48.78
    formamide 112.68
    cyclopentanone 864.81
    2-pentanone 487.52
    anisole 439.75
    cyclopentyl methyl ether 593.59
    gamma-butyrolactone 723.53
    1-methoxy-2-propanol 591.43
    pyridine 648.88
    3-pentanone 402.58
    furfural 589.5
    n-dodecane 41.9
    diethylene glycol 437.41
    diisopropyl ether 169.84
    tert-amyl alcohol 510.07
    acetylacetone 450.01
    n-hexadecane 48.1
    acetophenone 332.81
    methyl propionate 416.63
    isopentyl acetate 398.5
    trichloroethylene 1010.42
    n-nonanol 234.14
    cyclohexanol 515.61
    benzyl alcohol 309.48
    2-ethylhexanol 332.03
    isooctanol 200.17
    dipropyl ether 321.14
    1,2-dichlorobenzene 410.92
    ethyl lactate 162.21
    propylene carbonate 436.26
    n-methylformamide 364.25
    2-pentanol 370.25
    n-pentane 96.87
    1-propoxy-2-propanol 535.3
    1-methoxy-2-propyl acetate 458.84
    2-(2-methoxypropoxy) propanol 308.26
    mesitylene 235.17
    ε-caprolactone 648.79
    p-cymene 210.67
    epichlorohydrin 859.41
    1,1,1-trichloroethane 731.8
    2-aminoethanol 275.7
    morpholine-4-carbaldehyde 713.46
    sulfolane 631.83
    2,2,4-trimethylpentane 48.66
    2-methyltetrahydrofuran 875.51
    n-hexyl acetate 424.43
    isooctane 42.24
    2-(2-butoxyethoxy)ethanol 390.03
    sec-butyl acetate 203.47
    tert-butyl acetate 346.48
    decalin 84.76
    glycerin 262.06
    diglyme 590.7
    acrylic acid 235.79
    isopropyl myristate 190.9
    n-butyric acid 424.71
    acetyl acetate 273.56
    di(2-ethylhexyl) phthalate 168.83
    ethyl propionate 261.51
    nitromethane 410.35
    1,2-diethoxyethane 362.72
    benzonitrile 439.55
    trioctyl phosphate 138.77
    1-bromopropane 561.85
    gamma-valerolactone 933.42
    n-decanol 184.39
    triethyl phosphate 148.94
    4-methyl-2-pentanol 226.23
    propionitrile 584.6
    vinylene carbonate 448.4
    1,1,2-trichlorotrifluoroethane 458.44
    DMS 300.4
    cumene 204.77
    2-octanol 208.97
    2-hexanone 293.78
    octyl acetate 243.15
    limonene 290.92
    1,2-dimethoxyethane 529.42
    ethyl orthosilicate 142.81
    tributyl phosphate 150.32
    diacetone alcohol 407.74
    N,N-dimethylaniline 294.46
    acrylonitrile 589.58
    aniline 418.21
    1,3-propanediol 366.01
    bromobenzene 504.61
    dibromomethane 752.66
    1,1,2,2-tetrachloroethane 887.78
    2-methyl-cyclohexyl acetate 267.36
    tetrabutyl urea 198.89
    diisobutyl methanol 191.78
    2-phenylethanol 422.92
    styrene 299.66
    dioctyl adipate 211.37
    dimethyl sulfate 239.47
    ethyl butyrate 293.43
    methyl lactate 236.59
    butyl lactate 214.49
    diethyl carbonate 191.86
    propanediol butyl ether 320.7
    triethyl orthoformate 202.39
    p-tert-butyltoluene 222.88
    methyl 4-tert-butylbenzoate 319.17
    morpholine 1009.83
    tert-butylamine 474.61
    n-dodecanol 147.29
    dimethoxymethane 532.23
    ethylene carbonate 380.34
    cyrene 257.55
    2-ethoxyethyl acetate 320.15
    2-ethylhexyl acetate 318.94
    1,2,4-trichlorobenzene 446.9
    4-methylpyridine 735.93
    dibutyl ether 267.38
    2,6-dimethyl-4-heptanol 191.78
    DEF 438.67
    dimethyl isosorbide 490.41
    tetrachloroethylene 534.41
    eugenol 288.72
    triacetin 298.43
    span 80 294.62
    1,4-butanediol 141.42
    1,1-dichloroethane 802.55
    2-methyl-1-pentanol 249.62
    methyl formate 300.91
    2-methyl-1-butanol 395.65
    n-decane 68.08
    butyronitrile 581.84
    3,7-dimethyl-1-octanol 255.92
    1-chlorooctane 221.78
    1-chlorotetradecane 96.0
    n-nonane 69.01
    undecane 51.43
    tert-butylcyclohexane 82.25
    cyclooctane 65.24
    cyclopentanol 516.76
    tetrahydropyran 997.89
    tert-amyl methyl ether 388.25
    2,5,8-trioxanonane 414.67
    1-hexene 247.65
    2-isopropoxyethanol 254.73
    2,2,2-trifluoroethanol 103.42
    methyl butyrate 320.4

    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