4-Hydroxy-4-methylcyclohex-2-en-1-one

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  • Identifiers

    CAS number
    70150-56-0

    Molecular formula
    C7H10O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 59.75%
    Caramellic 47.36%
    Nutty 36.78%
    Woody 35.28%
    Burnt 32.52%
    Hay 31.87%
    Floral 30.72%
    Creamy 30.23%
    Coumarinic 28.45%
    Tobacco 26.87%

     

    Flavor
    Minty 39.43%
    Caramel 35.23%
    Sweet 28.46%
    Maple 25.96%
    Fenugreek 21.39%
    Fruity 21.19%
    Seedy 20.9%
    Maple syrup 20.85%
    Cotton candy 20.84%
    Spice 20.82%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    8.64 (weak base)

    Molecular weight
    126.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    241°C

    Flash point

    • 94.7 ˚C est.

  • Synonyms

    • 4-hydroxy-4-methylcyclohex-2-en-1-one
    • 70150-56-0
    • DTXSID00990396
    • RefChem:523873
    • DTXCID001417498
    • 872-934-4
    • xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one
    • 4-hydroxy-4-methyl-2-cyclohexen-1-one
    • 2-Cyclohexen-1-one, 4-hydroxy-4-methyl-
    • SCHEMBL12687982
    • CHEBI:189978
    • 4-hydroxy-4-methyl-cyclohex-2-enone
    • EN300-4414501
    • 70150-56-0

  • Applications

    4-Hydroxy-4-methylcyclohex-2-en-1-one (CAS 70150-56-0) is principally used as an intermediate in fragrance and flavor chemistry, serving as a synthetic building block for aroma compounds and, in some formulations, functioning as an odorant or subtle fixative in perfumery. It is commonly evaluated for use in cosmetics and personal care products as part of fragrance systems, and in household cleaners where it contributes to scent profiles. In industrial manufacturing, it can act as a reactive precursor for functionalized cyclohexenone derivatives, and it is also relevant to polymer and plastics processing as a starting material for specialty aroma-related monomers. Additional applications include coatings/inks and adhesives where odorant contribution is desired. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 368.35
    methanol 592.15
    isopropanol 252.73
    water 73.5
    ethyl acetate 142.29
    n-propanol 225.47
    acetone 203.23
    n-butanol 168.24
    acetonitrile 157.64
    DMF 512.23
    toluene 26.03
    isobutanol 127.64
    1,4-dioxane 208.31
    methyl acetate 195.44
    THF 246.35
    2-butanone 144.78
    n-pentanol 97.27
    sec-butanol 145.44
    n-hexane 2.2
    ethylene glycol 214.22
    NMP 134.73
    cyclohexane 2.28
    DMSO 274.37
    n-butyl acetate 57.54
    n-octanol 61.33
    chloroform 118.7
    n-propyl acetate 59.72
    acetic acid 162.96
    dichloromethane 92.23
    cyclohexanone 87.68
    propylene glycol 231.85
    isopropyl acetate 69.22
    DMAc 365.93
    2-ethoxyethanol 269.97
    isopentanol 122.11
    n-heptane 3.26
    ethyl formate 167.94
    1,2-dichloroethane 56.4
    n-hexanol 99.72
    2-methoxyethanol 540.73
    isobutyl acetate 34.95
    tetrachloromethane 24.4
    n-pentyl acetate 40.57
    transcutol 394.17
    n-heptanol 57.55
    ethylbenzene 18.13
    MIBK 59.46
    2-propoxyethanol 247.49
    tert-butanol 205.57
    MTBE 76.95
    2-butoxyethanol 148.28
    propionic acid 157.24
    o-xylene 22.17
    formic acid 256.79
    diethyl ether 66.51
    m-xylene 24.52
    p-xylene 21.51
    chlorobenzene 33.21
    dimethyl carbonate 92.21
    n-octane 2.12
    formamide 318.14
    cyclopentanone 121.73
    2-pentanone 97.29
    anisole 87.51
    cyclopentyl methyl ether 64.87
    gamma-butyrolactone 152.19
    1-methoxy-2-propanol 338.0
    pyridine 102.91
    3-pentanone 58.44
    furfural 174.53
    n-dodecane 2.8
    diethylene glycol 288.71
    diisopropyl ether 16.01
    tert-amyl alcohol 127.34
    acetylacetone 113.53
    n-hexadecane 2.95
    acetophenone 68.78
    methyl propionate 140.76
    isopentyl acetate 50.68
    trichloroethylene 97.21
    n-nonanol 49.92
    cyclohexanol 59.74
    benzyl alcohol 89.87
    2-ethylhexanol 45.22
    isooctanol 40.88
    dipropyl ether 31.15
    1,2-dichlorobenzene 33.08
    ethyl lactate 65.85
    propylene carbonate 83.15
    n-methylformamide 357.16
    2-pentanol 83.09
    n-pentane 2.77
    1-propoxy-2-propanol 135.18
    1-methoxy-2-propyl acetate 92.54
    2-(2-methoxypropoxy) propanol 115.26
    mesitylene 13.95
    ε-caprolactone 91.12
    p-cymene 14.65
    epichlorohydrin 173.58
    1,1,1-trichloroethane 50.66
    2-aminoethanol 303.8
    morpholine-4-carbaldehyde 263.36
    sulfolane 111.16
    2,2,4-trimethylpentane 2.53
    2-methyltetrahydrofuran 116.0
    n-hexyl acetate 64.96
    isooctane 2.33
    2-(2-butoxyethoxy)ethanol 165.52
    sec-butyl acetate 38.63
    tert-butyl acetate 59.4
    decalin 3.06
    glycerin 302.24
    diglyme 264.69
    acrylic acid 128.89
    isopropyl myristate 23.37
    n-butyric acid 151.84
    acetyl acetate 69.86
    di(2-ethylhexyl) phthalate 30.06
    ethyl propionate 68.39
    nitromethane 312.4
    1,2-diethoxyethane 81.25
    benzonitrile 67.38
    trioctyl phosphate 22.13
    1-bromopropane 28.82
    gamma-valerolactone 209.58
    n-decanol 35.9
    triethyl phosphate 29.08
    4-methyl-2-pentanol 50.71
    propionitrile 125.22
    vinylene carbonate 98.43
    1,1,2-trichlorotrifluoroethane 163.85
    DMS 60.75
    cumene 16.17
    2-octanol 35.3
    2-hexanone 55.06
    octyl acetate 34.16
    limonene 16.83
    1,2-dimethoxyethane 294.2
    ethyl orthosilicate 28.21
    tributyl phosphate 24.81
    diacetone alcohol 124.96
    N,N-dimethylaniline 57.49
    acrylonitrile 164.81
    aniline 70.56
    1,3-propanediol 334.3
    bromobenzene 24.21
    dibromomethane 50.89
    1,1,2,2-tetrachloroethane 82.65
    2-methyl-cyclohexyl acetate 33.42
    tetrabutyl urea 35.9
    diisobutyl methanol 25.84
    2-phenylethanol 82.62
    styrene 22.24
    dioctyl adipate 32.68
    dimethyl sulfate 110.66
    ethyl butyrate 43.19
    methyl lactate 130.63
    butyl lactate 54.0
    diethyl carbonate 35.3
    propanediol butyl ether 145.33
    triethyl orthoformate 33.99
    p-tert-butyltoluene 15.02
    methyl 4-tert-butylbenzoate 64.15
    morpholine 246.6
    tert-butylamine 85.06
    n-dodecanol 25.48
    dimethoxymethane 249.24
    ethylene carbonate 79.41
    cyrene 85.92
    2-ethoxyethyl acetate 71.59
    2-ethylhexyl acetate 35.57
    1,2,4-trichlorobenzene 38.82
    4-methylpyridine 114.77
    dibutyl ether 32.4
    2,6-dimethyl-4-heptanol 25.84
    DEF 131.94
    dimethyl isosorbide 128.03
    tetrachloroethylene 59.34
    eugenol 83.3
    triacetin 62.32
    span 80 80.5
    1,4-butanediol 129.58
    1,1-dichloroethane 62.86
    2-methyl-1-pentanol 75.36
    methyl formate 260.97
    2-methyl-1-butanol 106.57
    n-decane 4.28
    butyronitrile 113.93
    3,7-dimethyl-1-octanol 49.98
    1-chlorooctane 18.36
    1-chlorotetradecane 7.59
    n-nonane 3.67
    undecane 3.38
    tert-butylcyclohexane 3.57
    cyclooctane 1.34
    cyclopentanol 80.39
    tetrahydropyran 90.46
    tert-amyl methyl ether 51.77
    2,5,8-trioxanonane 177.79
    1-hexene 11.95
    2-isopropoxyethanol 144.38
    2,2,2-trifluoroethanol 101.22
    methyl butyrate 86.06

    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