4-Methylcyclohexane-1,3-dione

Overview IFRA Request a quote

  • Identifiers

    CAS number
    14203-46-4

    Molecular formula
    C7H10O2

    SMILES
    CC1CCC(=O)CC1=O

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 66.92%
    Burnt 53.95%
    Nutty 47.26%
    Roasted 42.26%
    Ketonic 38.08%
    Woody 35.72%
    Mint 35.49%
    Sweet 33.09%
    Coffee 32.1%
    Tobacco 31.8%

     

    Flavor
    Caramel 39.87%
    Minty 38.82%
    Sweet 36.91%
    Maple 30.95%
    Buttery 26.21%
    Fatty 24.77%
    Coumarin 24.39%
    Spice 24.21%
    Fenugreek 23.35%
    Tobacco 23.04%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    8.03 (weak base)

    Molecular weight
    126.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    239°C

    Flash point

    • 82.4 ˚C est.

  • Synonyms

    • 4-methylcyclohexane-1,3-dione
    • 14203-46-4
    • MFCD21338644
    • 4-methyl-1,3-cyclohexanedione
    • 1,3-Cyclohexanedione, 4-methyl-
    • SCHEMBL359577
    • 4-methyl-cyclohexane-1,3-dione
    • AKOS015906494
    • (+/-) 4-Methyl-1,3-cyclohexanedione
    • DA-10439
    • SY271609
    • 14203-46-4

  • Applications

    4-Methylcyclohexane-1,3-dione, CAS number: 14203-46-4, is used as an intermediate in organic synthesis, enabling access to 1,3-cyclohexanedione derivatives and related ring systems; in practice it may be used as a building block for pharmaceutical and agrochemical intermediates through functional-group transformations; it can also serve as a ligand or chelating agent in coordination chemistry and catalysis, useful in research and materials science; additionally, as a diketone, it may be evaluated as a precursor for polymer and coating formulations in development work.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 284.5
    methanol 397.9
    isopropanol 244.71
    water 17.96
    ethyl acetate 232.94
    n-propanol 211.9
    acetone 382.4
    n-butanol 157.92
    acetonitrile 314.31
    DMF 716.43
    toluene 69.68
    isobutanol 144.37
    1,4-dioxane 427.43
    methyl acetate 323.89
    THF 336.29
    2-butanone 266.14
    n-pentanol 97.86
    sec-butanol 166.88
    n-hexane 4.25
    ethylene glycol 153.92
    NMP 301.06
    cyclohexane 5.85
    DMSO 423.48
    n-butyl acetate 84.54
    n-octanol 70.19
    chloroform 499.22
    n-propyl acetate 79.77
    acetic acid 236.13
    dichloromethane 354.59
    cyclohexanone 191.32
    propylene glycol 182.32
    isopropyl acetate 102.2
    DMAc 490.14
    2-ethoxyethanol 218.13
    isopentanol 135.28
    n-heptane 3.78
    ethyl formate 173.32
    1,2-dichloroethane 186.97
    n-hexanol 107.47
    2-methoxyethanol 472.1
    isobutyl acetate 47.1
    tetrachloromethane 51.43
    n-pentyl acetate 57.51
    transcutol 712.7
    n-heptanol 58.34
    ethylbenzene 45.09
    MIBK 81.96
    2-propoxyethanol 238.9
    tert-butanol 225.15
    MTBE 98.7
    2-butoxyethanol 144.03
    propionic acid 241.26
    o-xylene 51.04
    formic acid 187.42
    diethyl ether 102.83
    m-xylene 53.42
    p-xylene 63.33
    chlorobenzene 119.98
    dimethyl carbonate 103.31
    n-octane 2.54
    formamide 280.62
    cyclopentanone 269.95
    2-pentanone 152.29
    anisole 136.74
    cyclopentyl methyl ether 98.31
    gamma-butyrolactone 343.18
    1-methoxy-2-propanol 335.59
    pyridine 267.5
    3-pentanone 107.43
    furfural 357.19
    n-dodecane 3.34
    diethylene glycol 263.87
    diisopropyl ether 22.31
    tert-amyl alcohol 143.72
    acetylacetone 208.62
    n-hexadecane 3.78
    acetophenone 116.14
    methyl propionate 192.55
    isopentyl acetate 76.06
    trichloroethylene 408.31
    n-nonanol 57.01
    cyclohexanol 102.45
    benzyl alcohol 128.81
    2-ethylhexanol 52.9
    isooctanol 46.76
    dipropyl ether 37.73
    1,2-dichlorobenzene 109.24
    ethyl lactate 73.28
    propylene carbonate 164.71
    n-methylformamide 401.65
    2-pentanol 95.01
    n-pentane 4.13
    1-propoxy-2-propanol 145.79
    1-methoxy-2-propyl acetate 128.81
    2-(2-methoxypropoxy) propanol 148.76
    mesitylene 30.64
    ε-caprolactone 179.56
    p-cymene 25.43
    epichlorohydrin 334.92
    1,1,1-trichloroethane 181.71
    2-aminoethanol 234.8
    morpholine-4-carbaldehyde 433.16
    sulfolane 264.55
    2,2,4-trimethylpentane 3.8
    2-methyltetrahydrofuran 200.83
    n-hexyl acetate 100.85
    isooctane 3.44
    2-(2-butoxyethoxy)ethanol 210.81
    sec-butyl acetate 53.81
    tert-butyl acetate 86.91
    decalin 6.44
    glycerin 256.09
    diglyme 342.65
    acrylic acid 219.24
    isopropyl myristate 35.73
    n-butyric acid 210.31
    acetyl acetate 129.99
    di(2-ethylhexyl) phthalate 46.86
    ethyl propionate 84.51
    nitromethane 561.04
    1,2-diethoxyethane 123.88
    benzonitrile 158.57
    trioctyl phosphate 31.5
    1-bromopropane 86.44
    gamma-valerolactone 391.21
    n-decanol 41.04
    triethyl phosphate 38.8
    4-methyl-2-pentanol 57.58
    propionitrile 206.08
    vinylene carbonate 190.58
    1,1,2-trichlorotrifluoroethane 290.88
    DMS 115.3
    cumene 32.36
    2-octanol 40.78
    2-hexanone 82.35
    octyl acetate 48.07
    limonene 30.36
    1,2-dimethoxyethane 299.57
    ethyl orthosilicate 35.82
    tributyl phosphate 39.34
    diacetone alcohol 156.36
    N,N-dimethylaniline 78.85
    acrylonitrile 297.87
    aniline 136.74
    1,3-propanediol 275.49
    bromobenzene 104.65
    dibromomethane 197.51
    1,1,2,2-tetrachloroethane 315.11
    2-methyl-cyclohexyl acetate 50.44
    tetrabutyl urea 52.36
    diisobutyl methanol 33.52
    2-phenylethanol 116.78
    styrene 59.42
    dioctyl adipate 54.02
    dimethyl sulfate 153.38
    ethyl butyrate 61.9
    methyl lactate 149.54
    butyl lactate 71.95
    diethyl carbonate 53.91
    propanediol butyl ether 171.12
    triethyl orthoformate 46.69
    p-tert-butyltoluene 25.04
    methyl 4-tert-butylbenzoate 95.18
    morpholine 410.38
    tert-butylamine 99.28
    n-dodecanol 29.55
    dimethoxymethane 266.84
    ethylene carbonate 136.93
    cyrene 114.37
    2-ethoxyethyl acetate 114.41
    2-ethylhexyl acetate 53.99
    1,2,4-trichlorobenzene 131.65
    4-methylpyridine 248.16
    dibutyl ether 45.03
    2,6-dimethyl-4-heptanol 33.52
    DEF 189.64
    dimethyl isosorbide 174.08
    tetrachloroethylene 188.97
    eugenol 114.56
    triacetin 111.9
    span 80 110.16
    1,4-butanediol 107.94
    1,1-dichloroethane 234.51
    2-methyl-1-pentanol 86.0
    methyl formate 299.71
    2-methyl-1-butanol 115.02
    n-decane 5.09
    butyronitrile 159.13
    3,7-dimethyl-1-octanol 66.71
    1-chlorooctane 27.35
    1-chlorotetradecane 11.52
    n-nonane 4.45
    undecane 4.07
    tert-butylcyclohexane 6.73
    cyclooctane 2.37
    cyclopentanol 137.33
    tetrahydropyran 185.86
    tert-amyl methyl ether 63.84
    2,5,8-trioxanonane 239.86
    1-hexene 24.47
    2-isopropoxyethanol 133.71
    2,2,2-trifluoroethanol 137.49
    methyl butyrate 111.18

    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