2-methyl-5-[(2E)-6-methyl-4-oxohept-2-en-2-yl]cyclohex-2-en-1-one

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  • Identifiers

    CAS number
    57095-92-8

    Molecular formula
    C15H22O2

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

    Safety labels

  • Odor profile

    Fragrance
    Mint 62.68%
    Herbal 47.35%
    Sweet 45.32%
    Fruity 45.28%
    Woody 42.49%
    Caramellic 37.13%
    Tobacco 34.68%
    Camphoreous 31.83%
    Spicy 31.07%
    Floral 27.7%

     

    Flavor
    Minty 38.52%
    Herbal 30.64%
    Mint 22.79%
    Spicy 22.69%
    Spice 22.44%
    Basil 21.52%
    Leaves 20.71%
    Peppermint 19.68%
    Lovage 19.5%
    Genet 19.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.45 (weak base)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    326°C

    Flash point

    • 138.19 ˚C est.

  • Synonyms

    • 57095-92-8
    • DTXSID601160700
    • 2-methyl-5-[(2E)-6-methyl-4-oxohept-2-en-2-yl]cyclohex-2-en-1-one
    • DB-317040
    • 2-Cyclohexen-1-one, 5-(1,5-dimethyl-3-oxo-1-hexenyl)-2-methyl-, (E)-
    • 5-[(1E)-1,5-dimethyl-3-oxo-1-hexenyl ]-2-methyl-2-cyclohexen-1-one
    • 57095-92-8

  • Applications

    This compound, 2-methyl-5-[(2E)-6-methyl-4-oxohept-2-en-2-yl]cyclohex-2-en-1-one (CAS 57095-92-8), is commonly used as a fragrance ingredient and as an intermediate in fragrance synthesis. In perfumery it contributes green-to-woody notes, and in cosmetics and personal care it is employed as a scent component in products such as lotions, shampoos, and detergents. It may also serve as a flavor/aroma ingredient in foods and beverages where permitted, and in household products like cleaners and air fresheners to impart lasting odor. It can function as a fragrance additive in coatings and inks, and as a scent-modifying additive in polymers/plastics, within applicable formulation limits. Uses are subject to local regulations and restrictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 404.49
    methanol 408.09
    isopropanol 429.46
    water 0.49
    ethyl acetate 270.67
    n-propanol 343.09
    acetone 345.35
    n-butanol 374.91
    acetonitrile 280.01
    DMF 427.57
    toluene 249.38
    isobutanol 270.03
    1,4-dioxane 665.01
    methyl acetate 243.64
    THF 686.9
    2-butanone 330.62
    n-pentanol 250.2
    sec-butanol 322.84
    n-hexane 28.28
    ethylene glycol 32.84
    NMP 285.36
    cyclohexane 50.73
    DMSO 222.97
    n-butyl acetate 230.79
    n-octanol 105.28
    chloroform 999.94
    n-propyl acetate 165.01
    acetic acid 262.91
    dichloromethane 646.43
    cyclohexanone 431.3
    propylene glycol 90.96
    isopropyl acetate 182.16
    DMAc 382.93
    2-ethoxyethanol 232.89
    isopentanol 309.46
    n-heptane 10.91
    ethyl formate 174.98
    1,2-dichloroethane 372.34
    n-hexanol 302.92
    2-methoxyethanol 353.94
    isobutyl acetate 130.23
    tetrachloromethane 97.14
    n-pentyl acetate 127.11
    transcutol 800.07
    n-heptanol 113.95
    ethylbenzene 139.06
    MIBK 176.42
    2-propoxyethanol 363.56
    tert-butanol 426.03
    MTBE 266.28
    2-butoxyethanol 199.2
    propionic acid 175.19
    o-xylene 141.72
    formic acid 69.31
    diethyl ether 259.95
    m-xylene 167.63
    p-xylene 180.09
    chlorobenzene 254.81
    dimethyl carbonate 72.82
    n-octane 7.1
    formamide 96.71
    cyclopentanone 375.2
    2-pentanone 239.35
    anisole 219.03
    cyclopentyl methyl ether 244.71
    gamma-butyrolactone 345.91
    1-methoxy-2-propanol 312.81
    pyridine 432.06
    3-pentanone 170.42
    furfural 339.69
    n-dodecane 6.32
    diethylene glycol 215.98
    diisopropyl ether 76.38
    tert-amyl alcohol 291.85
    acetylacetone 226.1
    n-hexadecane 7.54
    acetophenone 192.16
    methyl propionate 164.43
    isopentyl acetate 224.69
    trichloroethylene 715.76
    n-nonanol 93.58
    cyclohexanol 291.27
    benzyl alcohol 211.47
    2-ethylhexanol 139.25
    isooctanol 93.76
    dipropyl ether 105.46
    1,2-dichlorobenzene 211.69
    ethyl lactate 96.14
    propylene carbonate 239.55
    n-methylformamide 155.95
    2-pentanol 240.54
    n-pentane 21.63
    1-propoxy-2-propanol 262.32
    1-methoxy-2-propyl acetate 219.56
    2-(2-methoxypropoxy) propanol 189.12
    mesitylene 94.62
    ε-caprolactone 350.34
    p-cymene 67.67
    epichlorohydrin 457.03
    1,1,1-trichloroethane 384.43
    2-aminoethanol 114.88
    morpholine-4-carbaldehyde 376.96
    sulfolane 276.68
    2,2,4-trimethylpentane 15.51
    2-methyltetrahydrofuran 456.82
    n-hexyl acetate 190.33
    isooctane 13.44
    2-(2-butoxyethoxy)ethanol 263.02
    sec-butyl acetate 133.14
    tert-butyl acetate 186.75
    decalin 28.15
    glycerin 106.64
    diglyme 398.12
    acrylic acid 134.68
    isopropyl myristate 73.74
    n-butyric acid 302.37
    acetyl acetate 160.45
    di(2-ethylhexyl) phthalate 87.44
    ethyl propionate 138.67
    nitromethane 289.81
    1,2-diethoxyethane 246.31
    benzonitrile 248.59
    trioctyl phosphate 58.16
    1-bromopropane 245.03
    gamma-valerolactone 507.64
    n-decanol 68.86
    triethyl phosphate 76.0
    4-methyl-2-pentanol 140.33
    propionitrile 233.03
    vinylene carbonate 223.07
    1,1,2-trichlorotrifluoroethane 286.06
    DMS 146.16
    cumene 89.67
    2-octanol 78.88
    2-hexanone 189.0
    octyl acetate 95.14
    limonene 88.31
    1,2-dimethoxyethane 380.8
    ethyl orthosilicate 76.57
    tributyl phosphate 71.28
    diacetone alcohol 234.61
    N,N-dimethylaniline 142.21
    acrylonitrile 222.96
    aniline 263.59
    1,3-propanediol 213.62
    bromobenzene 248.52
    dibromomethane 443.26
    1,1,2,2-tetrachloroethane 621.44
    2-methyl-cyclohexyl acetate 135.62
    tetrabutyl urea 88.15
    diisobutyl methanol 75.6
    2-phenylethanol 222.97
    styrene 163.33
    dioctyl adipate 106.98
    dimethyl sulfate 92.45
    ethyl butyrate 142.47
    methyl lactate 93.06
    butyl lactate 125.63
    diethyl carbonate 103.62
    propanediol butyl ether 199.57
    triethyl orthoformate 104.11
    p-tert-butyltoluene 65.32
    methyl 4-tert-butylbenzoate 152.36
    morpholine 751.52
    tert-butylamine 243.9
    n-dodecanol 50.89
    dimethoxymethane 231.56
    ethylene carbonate 188.91
    cyrene 164.84
    2-ethoxyethyl acetate 192.29
    2-ethylhexyl acetate 168.81
    1,2,4-trichlorobenzene 248.18
    4-methylpyridine 467.06
    dibutyl ether 106.49
    2,6-dimethyl-4-heptanol 75.6
    DEF 208.39
    dimethyl isosorbide 281.21
    tetrachloroethylene 340.27
    eugenol 164.38
    triacetin 165.61
    span 80 171.43
    1,4-butanediol 94.7
    1,1-dichloroethane 453.52
    2-methyl-1-pentanol 229.22
    methyl formate 120.19
    2-methyl-1-butanol 272.89
    n-decane 11.48
    butyronitrile 294.62
    3,7-dimethyl-1-octanol 112.97
    1-chlorooctane 59.81
    1-chlorotetradecane 23.5
    n-nonane 10.56
    undecane 8.14
    tert-butylcyclohexane 25.7
    cyclooctane 13.6
    cyclopentanol 239.9
    tetrahydropyran 611.63
    tert-amyl methyl ether 167.27
    2,5,8-trioxanonane 268.83
    1-hexene 133.43
    2-isopropoxyethanol 184.67
    2,2,2-trifluoroethanol 76.82
    methyl butyrate 183.06

    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