1-(2-Hydroxy-4-methylcyclohexyl)ethanone

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  • Identifiers

    CAS number
    917750-72-2

    Molecular formula
    C9H16O2

    SMILES
    CC1CCC(C(C1)O)C(=O)C

  • Odor profile

    Floral 72.07%
    Mint 52.11%
    Herbal 45.77%
    Woody 33.47%
    Sweet 31.74%
    Cooling 31.26%
    Camphoreous 29.66%
    Fresh 27.46%
    Fruity 27.13%
    Earthy 26.05%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.38 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point est.
    108.88 ˚C

  • Synonyms

    • 1-(2-hydroxy-4-methylcyclohexyl)ethanone
    • 917750-72-2
    • SCHEMBL888206
    • DTXSID90572069

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 875.55
    methanol 1358.47
    isopropanol 685.43
    water 10.08
    ethyl acetate 263.27
    n-propanol 524.43
    acetone 455.67
    n-butanol 436.03
    acetonitrile 569.33
    DMF 410.06
    toluene 67.97
    isobutanol 319.73
    1,4-dioxane 1180.6
    methyl acetate 236.42
    THF 1248.74
    2-butanone 226.45
    n-pentanol 217.74
    sec-butanol 298.97
    n-hexane 15.3
    ethylene glycol 183.46
    NMP 368.53
    cyclohexane 49.06
    DMSO 552.47
    n-butyl acetate 201.03
    n-octanol 127.34
    chloroform 735.59
    n-propyl acetate 130.53
    acetic acid 651.67
    dichloromethane 579.38
    cyclohexanone 441.38
    propylene glycol 241.55
    isopropyl acetate 142.72
    DMAc 191.53
    2-ethoxyethanol 267.51
    isopentanol 294.84
    n-heptane 19.66
    ethyl formate 243.54
    1,2-dichloroethane 261.73
    n-hexanol 341.98
    2-methoxyethanol 693.02
    isobutyl acetate 87.64
    tetrachloromethane 87.98
    n-pentyl acetate 105.91
    transcutol 1010.11
    n-heptanol 126.57
    ethylbenzene 36.71
    MIBK 128.42
    2-propoxyethanol 454.01
    tert-butanol 544.68
    MTBE 189.12
    2-butoxyethanol 209.67
    propionic acid 339.43
    o-xylene 55.75
    formic acid 319.82
    diethyl ether 249.7
    m-xylene 63.18
    p-xylene 56.27
    chlorobenzene 149.26
    dimethyl carbonate 59.54
    n-octane 7.19
    formamide 322.56
    cyclopentanone 504.04
    2-pentanone 201.09
    anisole 107.68
    cyclopentyl methyl ether 269.53
    gamma-butyrolactone 682.78
    1-methoxy-2-propanol 421.71
    pyridine 334.24
    3-pentanone 112.59
    furfural 477.3
    n-dodecane 7.6
    diethylene glycol 397.17
    diisopropyl ether 60.96
    tert-amyl alcohol 249.4
    acetylacetone 218.88
    n-hexadecane 8.55
    acetophenone 100.66
    methyl propionate 148.84
    isopentyl acetate 159.09
    trichloroethylene 490.81
    n-nonanol 103.99
    cyclohexanol 332.96
    benzyl alcohol 125.5
    2-ethylhexanol 135.1
    isooctanol 89.89
    dipropyl ether 123.46
    1,2-dichlorobenzene 132.99
    ethyl lactate 76.63
    propylene carbonate 329.96
    n-methylformamide 343.98
    2-pentanol 214.39
    n-pentane 21.17
    1-propoxy-2-propanol 282.98
    1-methoxy-2-propyl acetate 185.84
    2-(2-methoxypropoxy) propanol 183.36
    mesitylene 45.25
    ε-caprolactone 364.37
    p-cymene 45.01
    epichlorohydrin 592.6
    1,1,1-trichloroethane 235.07
    2-aminoethanol 357.29
    morpholine-4-carbaldehyde 454.27
    sulfolane 485.53
    2,2,4-trimethylpentane 12.02
    2-methyltetrahydrofuran 579.65
    n-hexyl acetate 169.94
    isooctane 12.18
    2-(2-butoxyethoxy)ethanol 307.88
    sec-butyl acetate 80.26
    tert-butyl acetate 144.29
    decalin 16.09
    glycerin 304.7
    diglyme 481.95
    acrylic acid 285.59
    isopropyl myristate 62.48
    n-butyric acid 498.9
    acetyl acetate 160.33
    di(2-ethylhexyl) phthalate 74.85
    ethyl propionate 98.8
    nitromethane 739.65
    1,2-diethoxyethane 223.51
    benzonitrile 198.56
    trioctyl phosphate 59.41
    1-bromopropane 144.14
    gamma-valerolactone 660.33
    n-decanol 76.75
    triethyl phosphate 59.31
    4-methyl-2-pentanol 117.18
    propionitrile 312.78
    vinylene carbonate 296.55
    1,1,2-trichlorotrifluoroethane 338.33
    DMS 110.18
    cumene 34.67
    2-octanol 75.99
    2-hexanone 132.22
    octyl acetate 81.66
    limonene 72.77
    1,2-dimethoxyethane 423.69
    ethyl orthosilicate 59.94
    tributyl phosphate 69.08
    diacetone alcohol 200.41
    N,N-dimethylaniline 67.86
    acrylonitrile 316.66
    aniline 170.15
    1,3-propanediol 506.28
    bromobenzene 121.49
    dibromomethane 343.7
    1,1,2,2-tetrachloroethane 365.59
    2-methyl-cyclohexyl acetate 108.06
    tetrabutyl urea 82.44
    diisobutyl methanol 74.57
    2-phenylethanol 158.78
    styrene 43.82
    dioctyl adipate 94.19
    dimethyl sulfate 93.04
    ethyl butyrate 120.88
    methyl lactate 111.62
    butyl lactate 108.6
    diethyl carbonate 82.46
    propanediol butyl ether 231.52
    triethyl orthoformate 89.89
    p-tert-butyltoluene 44.53
    methyl 4-tert-butylbenzoate 122.15
    morpholine 1001.3
    tert-butylamine 295.39
    n-dodecanol 58.43
    dimethoxymethane 263.74
    ethylene carbonate 257.13
    cyrene 151.63
    2-ethoxyethyl acetate 155.01
    2-ethylhexyl acetate 115.51
    1,2,4-trichlorobenzene 155.82
    4-methylpyridine 258.52
    dibutyl ether 98.27
    2,6-dimethyl-4-heptanol 74.57
    DEF 183.79
    dimethyl isosorbide 275.97
    tetrachloroethylene 243.6
    eugenol 123.48
    triacetin 149.24
    span 80 190.15
    1,4-butanediol 141.0
    1,1-dichloroethane 295.96
    2-methyl-1-pentanol 153.67
    methyl formate 262.65
    2-methyl-1-butanol 226.67
    n-decane 12.71
    butyronitrile 355.46
    3,7-dimethyl-1-octanol 111.43
    1-chlorooctane 56.22
    1-chlorotetradecane 22.42
    n-nonane 11.71
    undecane 9.39
    tert-butylcyclohexane 14.69
    cyclooctane 12.54
    cyclopentanol 408.84
    tetrahydropyran 720.3
    tert-amyl methyl ether 106.1
    2,5,8-trioxanonane 317.66
    1-hexene 57.84
    2-isopropoxyethanol 165.81
    2,2,2-trifluoroethanol 185.4
    methyl butyrate 139.13

    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