4-Methylcyclohexanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    589-92-4

    Molecular formula
    C7H12O

    SMILES
    CC1CCC(=O)CC1

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Mint 75.75%
    Ketonic 57.67%
    Camphoreous 53.33%
    Herbal 48.46%
    Woody 40.11%
    Solvent 38.97%
    Animal 38.73%
    Cooling 38.57%
    Musty 37.71%
    Tobacco 33.99%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    112.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -40.6 °C

    Boiling point

    • 169.00 to 171.00 °C. @ 760.00 mm Hg

    Flash point est.
    52.12 ˚C

    Solubility expt.

    • insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 4-METHYLCYCLOHEXANONE
    • 589-92-4
    • 4-methylcyclohexan-1-one
    • Cyclohexanone, 4-methyl-
    • 4-Methyl-1-cyclohexanone
    • Tetrahydro-p-cresol
    • Methyl-4 cyclohexanone-1
    • Metylocykloheksanon
    • p-Methyl cyclohexanone
    • Cyclohexanone, methyl-
    • methycyclohexanone
    • Methyl-4 cyclohexanone-1 [French]
    • NSC 3816
    • EINECS 209-665-3
    • Metylocykloheksanon [Polish]
    • CYCLOHEXANONE,4-METHYL
    • BRN 0506746
    • AI3-15916
    • 0L1R78K79S
    • NSC-3816
    • EINECS 215-556-1
    • 4-methylcyclohexane-1-one
    • 4-methyl-cyclohexan-1-one
    • 4-METHYL-CYCLOHEXANONE
    • DTXSID5060435
    • FEMA NO. 3948
    • FEMA 3948
    • 4-07-00-00044 (Beilstein Handbook Reference)
    • 4-METHYLCYCLOHEXANONE [FHFI]
    • 4-methyl cyclohexanone
    • 4-Methyl-1-oxocyclohexane
    • 4-Methylcyclohexanone; 4-Methyl-1-cyclohexanone; NSC 3816
    • UNII-0L1R78K79S
    • Tetrahydropcresol
    • 4methylcyclohexanone
    • methyl-cyclohexanone
    • p-methylcyclohexanone
    • MFCD00001643
    • 4Methyl1cyclohexanone
    • Cyclohexanone, 4methyl
    • Methyl4 cyclohexanone1
    • para-methylcyclohexanone
    • Methylcyclohexanone [UN2297] [Flammable liquid]
    • 4-Methylcyclohexanone, 99%
    • SCHEMBL104009
    • 4-Methylcyclohexanone, >=99%
    • DTXCID1042499
    • NSC3816
    • CHEBI:195392
    • BCP26110
    • STL163959
    • AKOS000118729
    • FM37699
    • PS-5543
    • M0199
    • NS00022440
    • EN300-17913
    • P20542
    • A832099
    • Methylcyclohexanone [UN2297] [Flammable liquid]
    • Cyclohexanone, 4-methyl-;4-Methyl-1-cyclohexanone
    • Q22138343
    • F0001-1540
    • 209-665-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 320.06
    methanol 293.79
    isopropanol 301.56
    water 1.52
    ethyl acetate 324.09
    n-propanol 269.92
    acetone 340.13
    n-butanol 225.98
    acetonitrile 324.56
    DMF 399.32
    toluene 130.99
    isobutanol 184.98
    1,4-dioxane 430.9
    methyl acetate 366.38
    THF 390.94
    2-butanone 327.12
    n-pentanol 129.08
    sec-butanol 219.06
    n-hexane 24.67
    ethylene glycol 83.4
    NMP 210.71
    cyclohexane 31.12
    DMSO 264.88
    n-butyl acetate 209.53
    n-octanol 116.7
    chloroform 958.09
    n-propyl acetate 133.68
    acetic acid 218.04
    dichloromethane 592.82
    cyclohexanone 279.8
    propylene glycol 134.93
    isopropyl acetate 156.76
    DMAc 303.77
    2-ethoxyethanol 188.49
    isopentanol 178.43
    n-heptane 22.18
    ethyl formate 175.52
    1,2-dichloroethane 307.35
    n-hexanol 215.89
    2-methoxyethanol 354.38
    isobutyl acetate 84.47
    tetrachloromethane 117.19
    n-pentyl acetate 129.41
    transcutol 838.38
    n-heptanol 113.75
    ethylbenzene 80.72
    MIBK 107.1
    2-propoxyethanol 343.32
    tert-butanol 258.3
    MTBE 161.56
    2-butoxyethanol 211.29
    propionic acid 258.13
    o-xylene 83.01
    formic acid 78.57
    diethyl ether 190.69
    m-xylene 88.77
    p-xylene 110.0
    chlorobenzene 221.03
    dimethyl carbonate 79.4
    n-octane 11.9
    formamide 121.27
    cyclopentanone 342.32
    2-pentanone 201.08
    anisole 165.7
    cyclopentyl methyl ether 147.68
    gamma-butyrolactone 384.73
    1-methoxy-2-propanol 307.87
    pyridine 436.09
    3-pentanone 156.85
    furfural 401.86
    n-dodecane 10.63
    diethylene glycol 236.0
    diisopropyl ether 50.21
    tert-amyl alcohol 180.53
    acetylacetone 219.98
    n-hexadecane 12.14
    acetophenone 141.61
    methyl propionate 220.65
    isopentyl acetate 167.21
    trichloroethylene 673.11
    n-nonanol 102.04
    cyclohexanol 133.84
    benzyl alcohol 145.48
    2-ethylhexanol 112.31
    isooctanol 86.04
    dipropyl ether 107.33
    1,2-dichlorobenzene 188.96
    ethyl lactate 83.64
    propylene carbonate 210.29
    n-methylformamide 242.17
    2-pentanol 150.12
    n-pentane 21.79
    1-propoxy-2-propanol 254.19
    1-methoxy-2-propyl acetate 206.98
    2-(2-methoxypropoxy) propanol 191.04
    mesitylene 53.91
    ε-caprolactone 269.38
    p-cymene 59.11
    epichlorohydrin 400.95
    1,1,1-trichloroethane 342.98
    2-aminoethanol 177.49
    morpholine-4-carbaldehyde 338.56
    sulfolane 245.37
    2,2,4-trimethylpentane 12.05
    2-methyltetrahydrofuran 276.01
    n-hexyl acetate 194.26
    isooctane 11.08
    2-(2-butoxyethoxy)ethanol 274.31
    sec-butyl acetate 94.11
    tert-butyl acetate 128.38
    decalin 18.39
    glycerin 158.4
    diglyme 431.94
    acrylic acid 205.39
    isopropyl myristate 70.95
    n-butyric acid 304.68
    acetyl acetate 173.07
    di(2-ethylhexyl) phthalate 74.88
    ethyl propionate 132.86
    nitromethane 400.82
    1,2-diethoxyethane 237.36
    benzonitrile 237.43
    trioctyl phosphate 49.39
    1-bromopropane 200.53
    gamma-valerolactone 452.07
    n-decanol 74.04
    triethyl phosphate 63.08
    4-methyl-2-pentanol 85.39
    propionitrile 297.6
    vinylene carbonate 235.03
    1,1,2-trichlorotrifluoroethane 304.03
    DMS 162.1
    cumene 57.32
    2-octanol 79.83
    2-hexanone 132.58
    octyl acetate 89.51
    limonene 70.63
    1,2-dimethoxyethane 268.97
    ethyl orthosilicate 62.78
    tributyl phosphate 63.28
    diacetone alcohol 167.67
    N,N-dimethylaniline 99.68
    acrylonitrile 358.54
    aniline 196.87
    1,3-propanediol 221.38
    bromobenzene 219.31
    dibromomethane 410.21
    1,1,2,2-tetrachloroethane 537.26
    2-methyl-cyclohexyl acetate 95.7
    tetrabutyl urea 75.24
    diisobutyl methanol 69.03
    2-phenylethanol 175.81
    styrene 105.73
    dioctyl adipate 94.92
    dimethyl sulfate 102.27
    ethyl butyrate 131.19
    methyl lactate 128.93
    butyl lactate 123.45
    diethyl carbonate 100.01
    propanediol butyl ether 206.45
    triethyl orthoformate 94.32
    p-tert-butyltoluene 56.4
    methyl 4-tert-butylbenzoate 139.14
    morpholine 446.84
    tert-butylamine 153.71
    n-dodecanol 55.32
    dimethoxymethane 200.1
    ethylene carbonate 182.75
    cyrene 108.47
    2-ethoxyethyl acetate 202.6
    2-ethylhexyl acetate 126.57
    1,2,4-trichlorobenzene 215.37
    4-methylpyridine 356.02
    dibutyl ether 111.68
    2,6-dimethyl-4-heptanol 69.03
    DEF 198.31
    dimethyl isosorbide 229.39
    tetrachloroethylene 326.74
    eugenol 153.13
    triacetin 173.31
    span 80 173.19
    1,4-butanediol 84.9
    1,1-dichloroethane 409.79
    2-methyl-1-pentanol 108.28
    methyl formate 158.27
    2-methyl-1-butanol 153.79
    n-decane 17.9
    butyronitrile 254.64
    3,7-dimethyl-1-octanol 118.06
    1-chlorooctane 72.09
    1-chlorotetradecane 28.54
    n-nonane 16.99
    undecane 13.39
    tert-butylcyclohexane 19.67
    cyclooctane 12.0
    cyclopentanol 161.71
    tetrahydropyran 307.18
    tert-amyl methyl ether 102.5
    2,5,8-trioxanonane 291.03
    1-hexene 83.39
    2-isopropoxyethanol 137.97
    2,2,2-trifluoroethanol 93.88
    methyl butyrate 156.43

    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

Botanical

Name CAS Botanical Proportion
Patchouli (China) 3a root 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.03%
Patchouli (China) 3b rhizome 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.04%
Eucalyptus tereticornis (Cuba) Eucalyptus tereticornis Smith, fam. Myrtaceae 0.01%