Methyl 1-acetoxycyclohexyl ketone

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  • Identifiers

    CAS number
    52789-73-8

    Molecular formula
    C10H16O3

    SMILES
    CC(=O)C1(CCCCC1)OC(=O)C

  • Odor profile

    Fragrance
    Fruity 88.78%
    Floral 63.39%
    Sweet 62.28%
    Caramellic 45.59%
    Berry 40.37%
    Raspberry 35.35%
    Rose 34.73%
    Woody 34.49%
    Mint 31.44%
    Nutty 30.18%

     

    Flavor
    Fruity 81.18%
    Sweet 74.54%
    Fruit 33.27%
    Caramel 31.39%
    Berry 31.24%
    Tropical 29.54%
    Tobacco 28.13%
    Musty 26.46%
    Raspberry 26.42%
    Creamy 26.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.81 (neutral)

    Molecular weight
    184.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 67.00 °C. @ 3.00 mm Hg

    Flash point

    • 106.26 ˚C est.

    Solubility expt.

    • slightly
    • slightly soluble in water, soluble in alcohols and oils

  • Synonyms

    • 1-Acetylcyclohexyl acetate
    • 52789-73-8
    • (1-acetylcyclohexyl) acetate
    • Methyl 1-acetoxycyclohexyl ketone
    • 1-Acetoxy-1-acetylcyclohexane
    • 1-Acetoxycyclohexyl methyl ketone
    • 1-acetyl cyclohexyl acetate
    • FEMA No. 3701
    • 1-Hydroxycyclohexyl methyl ketone acetate
    • Ketone, 1-hydroxycyclohexyl methyl, acetate
    • 1-(1-(Acetyloxy)cyclohexyl)ethanone
    • UNII-987IZ840TA
    • 987IZ840TA
    • EINECS 258-186-6
    • Ethanone, 1-(1-(acetyloxy)cyclohexyl)-
    • DTXSID10200771
    • 1-[1-(Acetyloxy)cyclohexyl]ethanone
    • METHYL 1-ACETOXYCYCLOHEXYL KETONE [FHFI]
    • SCHEMBL3505624
    • FEMA 3701
    • DTXCID40123262
    • CHEBI:169562
    • GIFAYASOTQVRTG-UHFFFAOYSA-N
    • 1-(1-(Acetyloxy)cyclohexyl)-Ethanone
    • DB-311759
    • NS00022298
    • 1-[1-(Acetyloxy)-1-cyclohexyl]ethanone, 9CI
    • Q27272095

  • Applications

    Chemical name: Methyl 1-acetoxycyclohexyl ketone; CAS number: 52789-73-8. Methyl 1-acetoxycyclohexyl ketone is primarily used as an intermediate in fragrance chemistry and aroma compound synthesis, functioning as a building block for fragrance ingredients in the perfumery sector; it is also used as a precursor for specialty polymers and coatings formulations in industrial manufacturing; in cosmetics and personal care, it may be employed as a fragrance intermediate for product formulations; and it has potential applications as a synthetic intermediate in broader industrial chemical production and in coatings and inks formulations, depending on formulation limits and regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 377.07
    methanol 644.35
    isopropanol 385.62
    water 3.67
    ethyl acetate 353.19
    n-propanol 359.62
    acetone 536.42
    n-butanol 297.77
    acetonitrile 485.01
    DMF 1009.54
    toluene 309.7
    isobutanol 282.09
    1,4-dioxane 746.34
    methyl acetate 441.0
    THF 730.78
    2-butanone 443.62
    n-pentanol 215.1
    sec-butanol 344.46
    n-hexane 30.68
    ethylene glycol 143.91
    NMP 838.07
    cyclohexane 73.42
    DMSO 752.48
    n-butyl acetate 251.84
    n-octanol 175.43
    chloroform 1650.63
    n-propyl acetate 216.01
    acetic acid 328.83
    dichloromethane 1493.09
    cyclohexanone 724.07
    propylene glycol 143.06
    isopropyl acetate 234.88
    DMAc 852.12
    2-ethoxyethanol 282.84
    isopentanol 235.58
    n-heptane 24.16
    ethyl formate 383.59
    1,2-dichloroethane 748.77
    n-hexanol 231.29
    2-methoxyethanol 521.51
    isobutyl acetate 153.33
    tetrachloromethane 215.1
    n-pentyl acetate 214.68
    transcutol 402.3
    n-heptanol 138.93
    ethylbenzene 189.13
    MIBK 221.56
    2-propoxyethanol 356.61
    tert-butanol 429.44
    MTBE 289.33
    2-butoxyethanol 208.67
    propionic acid 326.36
    o-xylene 250.52
    formic acid 152.13
    diethyl ether 246.01
    m-xylene 226.43
    p-xylene 253.7
    chlorobenzene 441.72
    dimethyl carbonate 186.6
    n-octane 20.98
    formamide 228.5
    cyclopentanone 784.65
    2-pentanone 328.73
    anisole 339.05
    cyclopentyl methyl ether 328.67
    gamma-butyrolactone 908.79
    1-methoxy-2-propanol 367.68
    pyridine 583.49
    3-pentanone 296.44
    furfural 803.58
    n-dodecane 24.94
    diethylene glycol 301.99
    diisopropyl ether 92.22
    tert-amyl alcohol 345.86
    acetylacetone 437.22
    n-hexadecane 28.57
    acetophenone 326.73
    methyl propionate 330.27
    isopentyl acetate 217.49
    trichloroethylene 1331.35
    n-nonanol 148.95
    cyclohexanol 363.42
    benzyl alcohol 272.98
    2-ethylhexanol 142.26
    isooctanol 113.98
    dipropyl ether 127.23
    1,2-dichlorobenzene 438.18
    ethyl lactate 157.26
    propylene carbonate 546.09
    n-methylformamide 494.1
    2-pentanol 192.43
    n-pentane 33.09
    1-propoxy-2-propanol 230.34
    1-methoxy-2-propyl acetate 253.58
    2-(2-methoxypropoxy) propanol 207.29
    mesitylene 157.89
    ε-caprolactone 596.12
    p-cymene 120.27
    epichlorohydrin 832.0
    1,1,1-trichloroethane 683.2
    2-aminoethanol 219.57
    morpholine-4-carbaldehyde 742.23
    sulfolane 969.08
    2,2,4-trimethylpentane 28.4
    2-methyltetrahydrofuran 496.89
    n-hexyl acetate 303.46
    isooctane 21.18
    2-(2-butoxyethoxy)ethanol 239.07
    sec-butyl acetate 157.31
    tert-butyl acetate 235.01
    decalin 50.65
    glycerin 205.84
    diglyme 440.67
    acrylic acid 301.38
    isopropyl myristate 130.36
    n-butyric acid 367.49
    acetyl acetate 294.33
    di(2-ethylhexyl) phthalate 130.74
    ethyl propionate 230.87
    nitromethane 667.57
    1,2-diethoxyethane 209.65
    benzonitrile 427.75
    trioctyl phosphate 105.12
    1-bromopropane 408.7
    gamma-valerolactone 906.28
    n-decanol 113.48
    triethyl phosphate 128.27
    4-methyl-2-pentanol 118.02
    propionitrile 420.85
    vinylene carbonate 557.15
    1,1,2-trichlorotrifluoroethane 502.76
    DMS 286.54
    cumene 139.41
    2-octanol 125.75
    2-hexanone 230.76
    octyl acetate 166.92
    limonene 157.52
    1,2-dimethoxyethane 541.59
    ethyl orthosilicate 111.76
    tributyl phosphate 119.14
    diacetone alcohol 267.0
    N,N-dimethylaniline 246.48
    acrylonitrile 540.89
    aniline 308.98
    1,3-propanediol 286.18
    bromobenzene 490.42
    dibromomethane 936.97
    1,1,2,2-tetrachloroethane 1051.9
    2-methyl-cyclohexyl acetate 183.35
    tetrabutyl urea 162.47
    diisobutyl methanol 90.13
    2-phenylethanol 237.82
    styrene 224.76
    dioctyl adipate 171.91
    dimethyl sulfate 349.08
    ethyl butyrate 206.73
    methyl lactate 199.78
    butyl lactate 162.37
    diethyl carbonate 166.69
    propanediol butyl ether 190.7
    triethyl orthoformate 141.29
    p-tert-butyltoluene 116.68
    methyl 4-tert-butylbenzoate 271.51
    morpholine 621.0
    tert-butylamine 264.32
    n-dodecanol 88.92
    dimethoxymethane 478.26
    ethylene carbonate 448.68
    cyrene 241.89
    2-ethoxyethyl acetate 241.68
    2-ethylhexyl acetate 178.96
    1,2,4-trichlorobenzene 479.4
    4-methylpyridine 622.34
    dibutyl ether 147.44
    2,6-dimethyl-4-heptanol 90.13
    DEF 432.17
    dimethyl isosorbide 360.31
    tetrachloroethylene 652.68
    eugenol 257.18
    triacetin 269.01
    span 80 188.56
    1,4-butanediol 141.13
    1,1-dichloroethane 783.39
    2-methyl-1-pentanol 186.79
    methyl formate 470.49
    2-methyl-1-butanol 253.6
    n-decane 36.57
    butyronitrile 368.69
    3,7-dimethyl-1-octanol 148.99
    1-chlorooctane 136.37
    1-chlorotetradecane 65.05
    n-nonane 35.01
    undecane 29.71
    tert-butylcyclohexane 43.97
    cyclooctane 25.01
    cyclopentanol 417.26
    tetrahydropyran 503.76
    tert-amyl methyl ether 237.07
    2,5,8-trioxanonane 339.7
    1-hexene 113.01
    2-isopropoxyethanol 201.98
    2,2,2-trifluoroethanol 155.91
    methyl butyrate 314.31

    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