2-Cyclohexen-1-one, 2-methyl-6-(1-methylethylidene)-

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  • Identifiers

    CAS number
    824975-86-2

    Molecular formula
    C10H14O

    SMILES
    CC1=CCCC(=C(C)C)C1=O

  • Odor profile

    Fragrance
    Mint 76.87%
    Herbal 60.31%
    Camphoreous 46.93%
    Ketonic 38.9%
    Phenolic 36.48%
    Tobacco 36.03%
    Caramellic 34.39%
    Sweet 33.41%
    Spicy 32.36%
    Sharp 32.1%

     

    Flavor
    Minty 51.96%
    Herbal 41.89%
    Phenolic 39.33%
    Spicy 36.26%
    Mint 31.43%
    Tobacco 30.61%
    Woody 30.22%
    Fresh 27.69%
    Camphor 27.27%
    Spice 27.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.17 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    220°C

    Flash point

    • 81.82 ˚C est.

  • Synonyms

    • 824975-86-2
    • 2-Cyclohexen-1-one, 2-methyl-6-(1-methylethylidene)-
    • DTXSID10275666
    • DTXCID70227085

  • Applications

    2-Cyclohexen-1-one, 2-methyl-6-(1-methylethylidene)- (CAS 824975-86-2) is a cyclohexenone derivative primarily used as an intermediate and building block in fragrance chemistry and related chemical synthesis. In practice, applications commonly include use as an aroma compound or fragrance ingredient in perfumery and as a flavor precursor in flavor chemistry. It is also evaluated for cosmetics/personal care as a fragrance component and for household cleaning products as a scent additive. In industrial manufacturing, it can serve as a precursor for aroma-related syntheses and functional compounds used in coatings or inks. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1358.98
    methanol 1394.95
    isopropanol 1429.59
    water 6.57
    ethyl acetate 1928.55
    n-propanol 1477.18
    acetone 2384.31
    n-butanol 1378.82
    acetonitrile 3129.1
    DMF 2699.35
    toluene 1417.9
    isobutanol 1219.0
    1,4-dioxane 3528.71
    methyl acetate 2157.87
    THF 3501.24
    2-butanone 2197.28
    n-pentanol 930.28
    sec-butanol 1423.79
    n-hexane 623.64
    ethylene glycol 219.7
    NMP 2219.46
    cyclohexane 681.02
    DMSO 1402.26
    n-butyl acetate 1272.33
    n-octanol 851.2
    chloroform 6262.33
    n-propyl acetate 1144.51
    acetic acid 965.19
    dichloromethane 5203.96
    cyclohexanone 2922.93
    propylene glycol 308.11
    isopropyl acetate 1105.87
    DMAc 1346.78
    2-ethoxyethanol 989.85
    isopentanol 1096.19
    n-heptane 260.87
    ethyl formate 1201.33
    1,2-dichloroethane 3294.79
    n-hexanol 1129.22
    2-methoxyethanol 1526.36
    isobutyl acetate 707.51
    tetrachloromethane 1372.97
    n-pentyl acetate 1019.08
    transcutol 2118.21
    n-heptanol 709.75
    ethylbenzene 867.27
    MIBK 1040.42
    2-propoxyethanol 1332.28
    tert-butanol 1473.7
    MTBE 1752.58
    2-butoxyethanol 929.88
    propionic acid 1123.81
    o-xylene 835.94
    formic acid 281.18
    diethyl ether 2280.41
    m-xylene 995.64
    p-xylene 1055.7
    chlorobenzene 1788.93
    dimethyl carbonate 643.91
    n-octane 177.56
    formamide 524.86
    cyclopentanone 3170.95
    2-pentanone 1827.27
    anisole 1264.17
    cyclopentyl methyl ether 2032.05
    gamma-butyrolactone 3199.84
    1-methoxy-2-propanol 1276.9
    pyridine 2513.18
    3-pentanone 1450.25
    furfural 2055.82
    n-dodecane 125.72
    diethylene glycol 679.94
    diisopropyl ether 757.33
    tert-amyl alcohol 1347.72
    acetylacetone 1435.28
    n-hexadecane 148.75
    acetophenone 963.08
    methyl propionate 1470.54
    isopentyl acetate 1038.42
    trichloroethylene 5547.01
    n-nonanol 677.03
    cyclohexanol 1481.82
    benzyl alcohol 775.7
    2-ethylhexanol 707.06
    isooctanol 581.73
    dipropyl ether 897.28
    1,2-dichlorobenzene 1452.69
    ethyl lactate 449.37
    propylene carbonate 1510.42
    n-methylformamide 1441.12
    2-pentanol 1147.99
    n-pentane 494.75
    1-propoxy-2-propanol 956.92
    1-methoxy-2-propyl acetate 869.58
    2-(2-methoxypropoxy) propanol 579.67
    mesitylene 664.44
    ε-caprolactone 2124.81
    p-cymene 420.6
    epichlorohydrin 3501.69
    1,1,1-trichloroethane 3532.38
    2-aminoethanol 472.75
    morpholine-4-carbaldehyde 2110.0
    sulfolane 2478.77
    2,2,4-trimethylpentane 214.07
    2-methyltetrahydrofuran 3029.29
    n-hexyl acetate 1526.38
    isooctane 188.25
    2-(2-butoxyethoxy)ethanol 890.18
    sec-butyl acetate 771.68
    tert-butyl acetate 1114.09
    decalin 337.74
    glycerin 364.95
    diglyme 1697.44
    acrylic acid 903.36
    isopropyl myristate 513.53
    n-butyric acid 1338.89
    acetyl acetate 913.15
    di(2-ethylhexyl) phthalate 331.18
    ethyl propionate 1056.48
    nitromethane 2135.38
    1,2-diethoxyethane 1238.74
    benzonitrile 1390.42
    trioctyl phosphate 295.43
    1-bromopropane 2382.3
    gamma-valerolactone 2957.35
    n-decanol 490.17
    triethyl phosphate 346.83
    4-methyl-2-pentanol 617.59
    propionitrile 2279.34
    vinylene carbonate 1488.93
    1,1,2-trichlorotrifluoroethane 1412.45
    DMS 919.79
    cumene 575.92
    2-octanol 667.86
    2-hexanone 1262.21
    octyl acetate 664.5
    limonene 588.6
    1,2-dimethoxyethane 1940.73
    ethyl orthosilicate 356.0
    tributyl phosphate 345.44
    diacetone alcohol 953.93
    N,N-dimethylaniline 800.96
    acrylonitrile 2335.72
    aniline 1255.75
    1,3-propanediol 789.47
    bromobenzene 2030.62
    dibromomethane 3677.18
    1,1,2,2-tetrachloroethane 4128.04
    2-methyl-cyclohexyl acetate 572.51
    tetrabutyl urea 444.14
    diisobutyl methanol 394.06
    2-phenylethanol 778.39
    styrene 1018.77
    dioctyl adipate 521.71
    dimethyl sulfate 843.24
    ethyl butyrate 806.21
    methyl lactate 547.94
    butyl lactate 569.99
    diethyl carbonate 521.32
    propanediol butyl ether 758.47
    triethyl orthoformate 529.52
    p-tert-butyltoluene 426.37
    methyl 4-tert-butylbenzoate 765.2
    morpholine 3256.64
    tert-butylamine 1144.99
    n-dodecanol 368.14
    dimethoxymethane 1635.51
    ethylene carbonate 1273.16
    cyrene 526.76
    2-ethoxyethyl acetate 1005.67
    2-ethylhexyl acetate 846.25
    1,2,4-trichlorobenzene 1553.2
    4-methylpyridine 2698.89
    dibutyl ether 978.58
    2,6-dimethyl-4-heptanol 394.06
    DEF 1723.12
    dimethyl isosorbide 975.03
    tetrachloroethylene 2745.97
    eugenol 715.99
    triacetin 792.23
    span 80 597.14
    1,4-butanediol 363.62
    1,1-dichloroethane 3923.99
    2-methyl-1-pentanol 801.58
    methyl formate 1192.8
    2-methyl-1-butanol 1135.3
    n-decane 221.87
    butyronitrile 2219.37
    3,7-dimethyl-1-octanol 641.98
    1-chlorooctane 769.18
    1-chlorotetradecane 293.89
    n-nonane 237.96
    undecane 159.81
    tert-butylcyclohexane 322.68
    cyclooctane 294.44
    cyclopentanol 1605.41
    tetrahydropyran 3251.97
    tert-amyl methyl ether 1184.09
    2,5,8-trioxanonane 899.8
    1-hexene 1319.26
    2-isopropoxyethanol 771.16
    2,2,2-trifluoroethanol 443.97
    methyl butyrate 1358.01

    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