2-Methyl-5-(prop-1-en-2-yl)cyclohex-3-enone

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  • Identifiers

    CAS number
    53892-46-9

    Molecular formula
    C10H14O

    SMILES
    CC1C=CC(CC1=O)C(=C)C

  • Odor profile

    Fragrance
    Mint 68.55%
    Herbal 67.8%
    Spicy 56.87%
    Woody 45.77%
    Green 41.55%
    Citrus 39.23%
    Camphoreous 39.18%
    Fresh 39.1%
    Cooling 32.19%
    Fruity 31.07%

     

    Flavor
    Minty 51.96%
    Herbal 48.49%
    Mint 38.26%
    Spice 38.08%
    Fresh 33.85%
    Spearmint 30.1%
    Spicy 27.07%
    Peppermint 25.06%
    Herb 24.03%
    Cumin 23.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.01 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    213°C

    Flash point

    • 83.45 ˚C est.

  • Synonyms

    • 2-Methyl-5-(prop-1-en-2-yl)cyclohex-3-enone
    • 53892-46-9

  • Applications

    2-Methyl-5-(prop-1-en-2-yl)cyclohex-3-enone (CAS 53892-46-9) is commonly used as an intermediate in organic synthesis and as a fragrance-related component in the fragrance and cosmetics industries. Its cyclohexenone core with an isopropenyl substituent makes it a building block for the preparation of aroma molecules and related specialty chemicals; it may be employed in personal care and household products as a fragrance ingredient or as an intermediate enabling the formation of more complex scent compounds; in industrial manufacturing it serves as a reactive intermediate for downstream transformations and the development of functional materials; and it is typically evaluated for scent- and aroma-related applications depending on formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 239.86
    methanol 172.86
    isopropanol 254.04
    water 1.6
    ethyl acetate 178.29
    n-propanol 211.04
    acetone 155.76
    n-butanol 215.96
    acetonitrile 214.96
    DMF 241.13
    toluene 204.19
    isobutanol 171.73
    1,4-dioxane 402.45
    methyl acetate 215.65
    THF 302.22
    2-butanone 227.59
    n-pentanol 141.38
    sec-butanol 222.35
    n-hexane 17.45
    ethylene glycol 44.64
    NMP 156.42
    cyclohexane 33.15
    DMSO 149.57
    n-butyl acetate 177.01
    n-octanol 115.91
    chloroform 650.57
    n-propyl acetate 100.26
    acetic acid 119.45
    dichloromethane 460.56
    cyclohexanone 243.1
    propylene glycol 86.5
    isopropyl acetate 102.16
    DMAc 257.23
    2-ethoxyethanol 150.6
    isopentanol 181.47
    n-heptane 21.19
    ethyl formate 128.46
    1,2-dichloroethane 200.09
    n-hexanol 218.71
    2-methoxyethanol 233.62
    isobutyl acetate 73.03
    tetrachloromethane 99.53
    n-pentyl acetate 103.16
    transcutol 533.74
    n-heptanol 108.27
    ethylbenzene 115.21
    MIBK 103.57
    2-propoxyethanol 246.21
    tert-butanol 267.82
    MTBE 168.58
    2-butoxyethanol 154.6
    propionic acid 139.94
    o-xylene 127.53
    formic acid 42.7
    diethyl ether 139.1
    m-xylene 131.39
    p-xylene 145.31
    chlorobenzene 184.27
    dimethyl carbonate 58.0
    n-octane 11.0
    formamide 75.84
    cyclopentanone 212.54
    2-pentanone 143.09
    anisole 185.3
    cyclopentyl methyl ether 121.21
    gamma-butyrolactone 212.76
    1-methoxy-2-propanol 215.3
    pyridine 367.67
    3-pentanone 115.27
    furfural 260.98
    n-dodecane 11.54
    diethylene glycol 162.4
    diisopropyl ether 47.13
    tert-amyl alcohol 206.09
    acetylacetone 127.99
    n-hexadecane 13.19
    acetophenone 150.46
    methyl propionate 129.74
    isopentyl acetate 160.73
    trichloroethylene 439.31
    n-nonanol 102.38
    cyclohexanol 163.63
    benzyl alcohol 161.49
    2-ethylhexanol 133.04
    isooctanol 87.54
    dipropyl ether 90.84
    1,2-dichlorobenzene 152.87
    ethyl lactate 66.93
    propylene carbonate 151.15
    n-methylformamide 112.78
    2-pentanol 141.83
    n-pentane 21.26
    1-propoxy-2-propanol 201.85
    1-methoxy-2-propyl acetate 157.7
    2-(2-methoxypropoxy) propanol 171.69
    mesitylene 77.11
    ε-caprolactone 205.25
    p-cymene 78.99
    epichlorohydrin 277.83
    1,1,1-trichloroethane 266.96
    2-aminoethanol 107.47
    morpholine-4-carbaldehyde 256.54
    sulfolane 162.81
    2,2,4-trimethylpentane 16.59
    2-methyltetrahydrofuran 248.91
    n-hexyl acetate 153.17
    isooctane 14.45
    2-(2-butoxyethoxy)ethanol 213.94
    sec-butyl acetate 82.01
    tert-butyl acetate 104.36
    decalin 26.72
    glycerin 96.75
    diglyme 326.68
    acrylic acid 109.98
    isopropyl myristate 68.35
    n-butyric acid 187.02
    acetyl acetate 103.33
    di(2-ethylhexyl) phthalate 77.47
    ethyl propionate 94.13
    nitromethane 186.05
    1,2-diethoxyethane 188.14
    benzonitrile 225.51
    trioctyl phosphate 50.07
    1-bromopropane 168.57
    gamma-valerolactone 295.44
    n-decanol 78.33
    triethyl phosphate 63.77
    4-methyl-2-pentanol 95.44
    propionitrile 205.21
    vinylene carbonate 169.92
    1,1,2-trichlorotrifluoroethane 191.46
    DMS 115.5
    cumene 82.12
    2-octanol 80.82
    2-hexanone 116.0
    octyl acetate 85.54
    limonene 96.2
    1,2-dimethoxyethane 237.35
    ethyl orthosilicate 63.15
    tributyl phosphate 58.64
    diacetone alcohol 145.97
    N,N-dimethylaniline 127.07
    acrylonitrile 218.98
    aniline 205.93
    1,3-propanediol 159.81
    bromobenzene 193.6
    dibromomethane 323.2
    1,1,2,2-tetrachloroethane 325.22
    2-methyl-cyclohexyl acetate 111.47
    tetrabutyl urea 75.23
    diisobutyl methanol 80.68
    2-phenylethanol 185.39
    styrene 131.95
    dioctyl adipate 93.98
    dimethyl sulfate 73.75
    ethyl butyrate 121.27
    methyl lactate 79.03
    butyl lactate 92.2
    diethyl carbonate 91.87
    propanediol butyl ether 155.72
    triethyl orthoformate 85.4
    p-tert-butyltoluene 77.53
    methyl 4-tert-butylbenzoate 135.6
    morpholine 404.58
    tert-butylamine 166.75
    n-dodecanol 61.31
    dimethoxymethane 140.31
    ethylene carbonate 126.41
    cyrene 124.39
    2-ethoxyethyl acetate 149.0
    2-ethylhexyl acetate 125.98
    1,2,4-trichlorobenzene 188.37
    4-methylpyridine 353.51
    dibutyl ether 96.34
    2,6-dimethyl-4-heptanol 80.68
    DEF 139.03
    dimethyl isosorbide 231.58
    tetrachloroethylene 191.93
    eugenol 144.32
    triacetin 139.11
    span 80 143.44
    1,4-butanediol 66.38
    1,1-dichloroethane 288.04
    2-methyl-1-pentanol 139.59
    methyl formate 82.28
    2-methyl-1-butanol 163.22
    n-decane 17.62
    butyronitrile 228.21
    3,7-dimethyl-1-octanol 120.02
    1-chlorooctane 64.54
    1-chlorotetradecane 30.76
    n-nonane 15.5
    undecane 14.03
    tert-butylcyclohexane 26.99
    cyclooctane 12.97
    cyclopentanol 152.22
    tetrahydropyran 299.15
    tert-amyl methyl ether 119.58
    2,5,8-trioxanonane 241.97
    1-hexene 75.27
    2-isopropoxyethanol 124.12
    2,2,2-trifluoroethanol 55.59
    methyl butyrate 115.29

    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