3-Methyl-2-cyclohexen-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1193-18-6

    Molecular formula
    C7H10O

    SMILES
    CC1=CC(=O)CCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 83.28%
    Sweet 74.22%
    Caramellic 69.08%
    Mint 63.3%
    Nutty 52.63%
    Ketonic 50.0%
    Burnt 42.2%
    Coumarinic 41.06%
    Musty 40.69%
    Tobacco 40.54%

     

    Flavor
    Fruity 51.04%
    Phenolic 48.38%
    Caramel 45.67%
    Sweet 41.14%
    Fatty 40.97%
    Minty 40.73%
    Cherry 38.13%
    Spice 28.79%
    Tobacco 28.18%
    Maple 25.31%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    8.45 (weak base)

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Melting point expt.

    • -21 °C

    Flash point

    • 51.75 ˚C est.

    Solubility expt.

    • miscible in water
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 3-METHYL-2-CYCLOHEXEN-1-ONE
    • 1193-18-6
    • 3-Methylcyclohex-2-en-1-one
    • 3-Methyl-2-cyclohexenone
    • Seudenone
    • 2-Cyclohexen-1-one, 3-methyl-
    • Methylcyclohexenone
    • Caswell No. 561AB
    • FEMA No. 3360
    • nutty cyclohexenone
    • 3-Methyl-2-cyclohexene-1-one
    • EINECS 214-769-7
    • MFCD00001581
    • NSC 43632
    • ghl.PD_Mitscher_leg0.699
    • EPA Pesticide Chemical Code 219700
    • BRN 1560601
    • DTXSID8035186
    • UNII-786Y352V9X
    • AI3-19937
    • NSC-43632
    • 786Y352V9X
    • 3-Methyl-2-cyclohexenone-1
    • 3-methyl-cyclohex-2-en-1-one
    • DTXCID6015186
    • CHEBI:88428
    • FEMA 3360
    • 4-07-00-00130 (Beilstein Handbook Reference)
    • 3-METHYL-2-CYCLOHEXEN-1-ONE [FHFI]
    • 3-Methylcyclohexenone
    • 3-methyl-cyclohexenone
    • MCH CPD
    • 3-methylcyclohex-2-enone
    • 3-Methyl-D2-cyclohexenone
    • 3-methyl-cyclohex-2-enone
    • SCHEMBL124901
    • CHEMBL3139347
    • 3-Methyl-2-cyclohexenone, 98%
    • NSC43632
    • Tox21_302036
    • AKOS004909936
    • AKOS025243221
    • FM35625
    • s10448
    • NCGC00255585-01
    • NS-00067
    • SY011435
    • CAS-1193-18-6
    • DB-041462
    • CS-0128362
    • M1043
    • NS00020937
    • EN300-66416
    • 3-Methyl-2-cyclohexenone, >=98%, stabilized, FG
    • Q27160291
    • Z1042078386

  • Applications

    3-Methyl-2-cyclohexen-1-one is commonly used in fragrance chemistry as an odorant and as a synthetic intermediate for the development of other cyclohexenone-derived fragrance compounds. In cosmetics and personal care, it serves as a fragrance ingredient contributing to aroma profiles; in household products, it is used to impart a fresh scent in cleaners and air‑freshening formulations. In industrial manufacturing, it functions as an intermediate to prepare additional fragrance chemicals and specialty materials. It may also appear in coatings and inks as a fragrance additive component, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 691.97
    methanol 854.49
    isopropanol 459.75
    water 5.59
    ethyl acetate 414.8
    n-propanol 494.96
    acetone 575.62
    n-butanol 432.27
    acetonitrile 620.46
    DMF 471.94
    toluene 162.64
    isobutanol 308.69
    1,4-dioxane 908.42
    methyl acetate 376.05
    THF 943.99
    2-butanone 393.66
    n-pentanol 301.26
    sec-butanol 358.93
    n-hexane 119.65
    ethylene glycol 135.41
    NMP 573.98
    cyclohexane 120.68
    DMSO 500.05
    n-butyl acetate 333.35
    n-octanol 227.91
    chloroform 1361.26
    n-propyl acetate 219.04
    acetic acid 898.84
    dichloromethane 856.72
    cyclohexanone 538.33
    propylene glycol 170.96
    isopropyl acetate 223.4
    DMAc 273.99
    2-ethoxyethanol 306.66
    isopentanol 316.2
    n-heptane 73.48
    ethyl formate 233.19
    1,2-dichloroethane 434.41
    n-hexanol 426.99
    2-methoxyethanol 511.53
    isobutyl acetate 146.5
    tetrachloromethane 178.91
    n-pentyl acetate 211.52
    transcutol 1710.26
    n-heptanol 186.58
    ethylbenzene 91.55
    MIBK 202.22
    2-propoxyethanol 516.8
    tert-butanol 452.94
    MTBE 301.51
    2-butoxyethanol 286.75
    propionic acid 478.48
    o-xylene 108.57
    formic acid 287.97
    diethyl ether 507.15
    m-xylene 126.74
    p-xylene 121.59
    chlorobenzene 289.68
    dimethyl carbonate 100.46
    n-octane 26.36
    formamide 281.88
    cyclopentanone 611.43
    2-pentanone 339.03
    anisole 197.73
    cyclopentyl methyl ether 419.2
    gamma-butyrolactone 708.25
    1-methoxy-2-propanol 373.57
    pyridine 485.4
    3-pentanone 228.86
    furfural 511.21
    n-dodecane 22.82
    diethylene glycol 379.79
    diisopropyl ether 132.55
    tert-amyl alcohol 321.38
    acetylacetone 329.0
    n-hexadecane 25.64
    acetophenone 168.43
    methyl propionate 262.26
    isopentyl acetate 267.56
    trichloroethylene 839.44
    n-nonanol 187.37
    cyclohexanol 343.45
    benzyl alcohol 173.58
    2-ethylhexanol 214.54
    isooctanol 143.65
    dipropyl ether 243.13
    1,2-dichlorobenzene 226.26
    ethyl lactate 106.5
    propylene carbonate 345.7
    n-methylformamide 325.23
    2-pentanol 281.82
    n-pentane 97.31
    1-propoxy-2-propanol 366.99
    1-methoxy-2-propyl acetate 270.01
    2-(2-methoxypropoxy) propanol 283.99
    mesitylene 84.4
    ε-caprolactone 470.69
    p-cymene 76.31
    epichlorohydrin 613.3
    1,1,1-trichloroethane 472.84
    2-aminoethanol 269.96
    morpholine-4-carbaldehyde 524.15
    sulfolane 581.46
    2,2,4-trimethylpentane 38.83
    2-methyltetrahydrofuran 677.33
    n-hexyl acetate 356.8
    isooctane 35.05
    2-(2-butoxyethoxy)ethanol 442.03
    sec-butyl acetate 146.07
    tert-butyl acetate 230.41
    decalin 52.09
    glycerin 230.9
    diglyme 613.74
    acrylic acid 419.41
    isopropyl myristate 122.11
    n-butyric acid 483.29
    acetyl acetate 250.13
    di(2-ethylhexyl) phthalate 111.66
    ethyl propionate 172.98
    nitromethane 830.1
    1,2-diethoxyethane 445.08
    benzonitrile 283.66
    trioctyl phosphate 84.22
    1-bromopropane 358.28
    gamma-valerolactone 686.52
    n-decanol 134.48
    triethyl phosphate 84.69
    4-methyl-2-pentanol 154.3
    propionitrile 380.26
    vinylene carbonate 313.12
    1,1,2-trichlorotrifluoroethane 391.91
    DMS 218.08
    cumene 75.07
    2-octanol 129.98
    2-hexanone 266.46
    octyl acetate 163.33
    limonene 128.74
    1,2-dimethoxyethane 426.32
    ethyl orthosilicate 88.7
    tributyl phosphate 107.8
    diacetone alcohol 267.0
    N,N-dimethylaniline 123.67
    acrylonitrile 393.37
    aniline 260.52
    1,3-propanediol 339.41
    bromobenzene 284.66
    dibromomethane 612.07
    1,1,2,2-tetrachloroethane 636.88
    2-methyl-cyclohexyl acetate 162.35
    tetrabutyl urea 124.2
    diisobutyl methanol 114.15
    2-phenylethanol 222.1
    styrene 114.6
    dioctyl adipate 158.92
    dimethyl sulfate 142.04
    ethyl butyrate 192.7
    methyl lactate 138.11
    butyl lactate 159.25
    diethyl carbonate 117.48
    propanediol butyl ether 294.59
    triethyl orthoformate 136.47
    p-tert-butyltoluene 74.09
    methyl 4-tert-butylbenzoate 182.76
    morpholine 830.8
    tert-butylamine 315.37
    n-dodecanol 100.23
    dimethoxymethane 292.84
    ethylene carbonate 259.01
    cyrene 179.42
    2-ethoxyethyl acetate 280.45
    2-ethylhexyl acetate 202.34
    1,2,4-trichlorobenzene 272.56
    4-methylpyridine 412.61
    dibutyl ether 246.8
    2,6-dimethyl-4-heptanol 114.15
    DEF 312.39
    dimethyl isosorbide 371.07
    tetrachloroethylene 420.73
    eugenol 193.06
    triacetin 258.58
    span 80 273.9
    1,4-butanediol 144.17
    1,1-dichloroethane 572.2
    2-methyl-1-pentanol 237.7
    methyl formate 227.21
    2-methyl-1-butanol 296.39
    n-decane 39.52
    butyronitrile 401.65
    3,7-dimethyl-1-octanol 196.25
    1-chlorooctane 142.07
    1-chlorotetradecane 54.36
    n-nonane 40.62
    undecane 29.04
    tert-butylcyclohexane 51.4
    cyclooctane 40.34
    cyclopentanol 397.01
    tetrahydropyran 758.42
    tert-amyl methyl ether 221.89
    2,5,8-trioxanonane 416.62
    1-hexene 271.31
    2-isopropoxyethanol 222.17
    2,2,2-trifluoroethanol 222.43
    methyl butyrate 222.6

    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