1-Acetoxy-1-ethynylcyclohexane

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  • Identifiers

    CAS number
    5240-32-4

    Molecular formula
    C10H14O2

    SMILES
    CC(=O)OC1(CCCCC1)C#C

  • Odor profile

    Fragrance
    Woody 74.36%
    Herbal 58.15%
    Dry 43.74%
    Mint 38.18%
    Camphoreous 35.94%
    Amber 35.15%
    Cedar 34.9%
    Spicy 33.16%
    Floral 32.73%
    Pine 32.12%

     

    Flavor
    Fruity 54.4%
    Sweet 38.03%
    Floral 31.95%
    Bitter 31.2%
    Minty 27.5%
    Woody 24.41%
    Powdery 23.73%
    Berry 23.13%
    Mild 22.72%
    Tropical 22.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.1 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    206°C

    Flash point

    • 96.21 ˚C est.

  • Synonyms

    • 1-Ethynylcyclohexyl acetate
    • 5240-32-4
    • 1-Acetoxy-1-ethynylcyclohexane
    • Cyclohexanol, 1-ethynyl-, acetate
    • 1-Ethynylcyclohexanol acetate
    • (1-ethynylcyclohexyl) acetate
    • Cyclohexanol, 1-ethynyl-, 1-acetate
    • ENT 7068
    • EINECS 226-040-0
    • N95BG68JVK
    • NSC 22257
    • BRN 2045236
    • AI3-07068
    • NSC-22257
    • DTXSID40863510
    • ENT-7068
    • acorn acetate
    • 1-ETHYNYL CYCLOHEXANYL ACETATE
    • UNII-N95BG68JVK
    • SCHEMBL873082
    • DTXCID90812114
    • WLN: L6TJ AOV1 A1UU1
    • NSC22257
    • AKOS006272198
    • Acetic acid 1-ethynyl-cyclohexyl ester
    • NS00044793
    • 226-040-0

  • Applications

    1-Acetoxy-1-ethynylcyclohexane (CAS 5240-32-4) is primarily regarded as an intermediate in specialty organic synthesis, providing a building block for functional cyclohexyl derivatives; it may also serve as a precursor for pharmaceutical and agrochemical development, and as a starting point for polymer science where it can act as a monomer or crosslinking precursor. In coatings and inks, it can function as a functionalizable precursor to introduce the acetoxy-ethynyl cyclohexyl moiety into formulations. The chemical may also be explored in materials science and electronics research as a building block for functional organic materials. Use and handling are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 246.02
    methanol 489.86
    isopropanol 186.56
    water 3.22
    ethyl acetate 256.87
    n-propanol 220.53
    acetone 418.46
    n-butanol 181.9
    acetonitrile 303.47
    DMF 884.95
    toluene 151.92
    isobutanol 162.53
    1,4-dioxane 425.86
    methyl acetate 301.54
    THF 506.33
    2-butanone 302.34
    n-pentanol 134.87
    sec-butanol 169.29
    n-hexane 37.7
    ethylene glycol 163.15
    NMP 676.7
    cyclohexane 73.92
    DMSO 708.44
    n-butyl acetate 184.38
    n-octanol 136.56
    chloroform 1057.45
    n-propyl acetate 177.6
    acetic acid 275.66
    dichloromethane 1023.01
    cyclohexanone 509.8
    propylene glycol 135.21
    isopropyl acetate 159.42
    DMAc 624.03
    2-ethoxyethanol 196.24
    isopentanol 140.38
    n-heptane 34.27
    ethyl formate 251.0
    1,2-dichloroethane 508.39
    n-hexanol 175.09
    2-methoxyethanol 363.93
    isobutyl acetate 122.93
    tetrachloromethane 142.94
    n-pentyl acetate 159.73
    transcutol 405.23
    n-heptanol 104.46
    ethylbenzene 113.0
    MIBK 162.18
    2-propoxyethanol 265.45
    tert-butanol 203.93
    MTBE 152.71
    2-butoxyethanol 154.31
    propionic acid 264.12
    o-xylene 129.59
    formic acid 146.7
    diethyl ether 170.69
    m-xylene 126.5
    p-xylene 148.93
    chlorobenzene 277.68
    dimethyl carbonate 171.51
    n-octane 22.18
    formamide 203.85
    cyclopentanone 620.88
    2-pentanone 243.45
    anisole 220.68
    cyclopentyl methyl ether 229.17
    gamma-butyrolactone 654.93
    1-methoxy-2-propanol 269.79
    pyridine 346.11
    3-pentanone 228.72
    furfural 541.05
    n-dodecane 24.55
    diethylene glycol 269.8
    diisopropyl ether 63.42
    tert-amyl alcohol 167.96
    acetylacetone 362.14
    n-hexadecane 27.29
    acetophenone 217.39
    methyl propionate 263.9
    isopentyl acetate 161.52
    trichloroethylene 874.5
    n-nonanol 114.13
    cyclohexanol 199.63
    benzyl alcohol 174.96
    2-ethylhexanol 109.81
    isooctanol 86.42
    dipropyl ether 122.01
    1,2-dichlorobenzene 277.11
    ethyl lactate 138.78
    propylene carbonate 403.94
    n-methylformamide 387.88
    2-pentanol 113.23
    n-pentane 37.84
    1-propoxy-2-propanol 181.97
    1-methoxy-2-propyl acetate 204.12
    2-(2-methoxypropoxy) propanol 180.76
    mesitylene 92.18
    ε-caprolactone 393.53
    p-cymene 80.18
    epichlorohydrin 527.85
    1,1,1-trichloroethane 438.27
    2-aminoethanol 196.14
    morpholine-4-carbaldehyde 526.19
    sulfolane 802.01
    2,2,4-trimethylpentane 21.78
    2-methyltetrahydrofuran 304.98
    n-hexyl acetate 228.76
    isooctane 17.29
    2-(2-butoxyethoxy)ethanol 222.41
    sec-butyl acetate 120.4
    tert-butyl acetate 173.28
    decalin 42.21
    glycerin 209.16
    diglyme 388.04
    acrylic acid 271.28
    isopropyl myristate 111.26
    n-butyric acid 275.9
    acetyl acetate 228.22
    di(2-ethylhexyl) phthalate 111.55
    ethyl propionate 189.6
    nitromethane 542.8
    1,2-diethoxyethane 169.43
    benzonitrile 262.28
    trioctyl phosphate 93.73
    1-bromopropane 285.08
    gamma-valerolactone 607.75
    n-decanol 90.18
    triethyl phosphate 110.13
    4-methyl-2-pentanol 78.53
    propionitrile 272.28
    vinylene carbonate 401.87
    1,1,2-trichlorotrifluoroethane 401.27
    DMS 223.33
    cumene 88.21
    2-octanol 88.03
    2-hexanone 177.59
    octyl acetate 138.98
    limonene 112.67
    1,2-dimethoxyethane 364.2
    ethyl orthosilicate 95.66
    tributyl phosphate 104.78
    diacetone alcohol 205.05
    N,N-dimethylaniline 163.03
    acrylonitrile 382.78
    aniline 167.26
    1,3-propanediol 203.03
    bromobenzene 306.78
    dibromomethane 644.97
    1,1,2,2-tetrachloroethane 673.83
    2-methyl-cyclohexyl acetate 152.66
    tetrabutyl urea 146.04
    diisobutyl methanol 70.68
    2-phenylethanol 160.99
    styrene 142.59
    dioctyl adipate 152.67
    dimethyl sulfate 333.76
    ethyl butyrate 171.61
    methyl lactate 190.63
    butyl lactate 136.54
    diethyl carbonate 143.28
    propanediol butyl ether 174.53
    triethyl orthoformate 119.99
    p-tert-butyltoluene 75.42
    methyl 4-tert-butylbenzoate 215.77
    morpholine 371.46
    tert-butylamine 132.59
    n-dodecanol 74.95
    dimethoxymethane 371.39
    ethylene carbonate 319.79
    cyrene 210.17
    2-ethoxyethyl acetate 195.12
    2-ethylhexyl acetate 133.34
    1,2,4-trichlorobenzene 293.12
    4-methylpyridine 337.13
    dibutyl ether 126.64
    2,6-dimethyl-4-heptanol 70.68
    DEF 304.78
    dimethyl isosorbide 299.32
    tetrachloroethylene 439.73
    eugenol 207.26
    triacetin 242.17
    span 80 174.06
    1,4-butanediol 106.24
    1,1-dichloroethane 464.55
    2-methyl-1-pentanol 118.0
    methyl formate 346.99
    2-methyl-1-butanol 138.83
    n-decane 34.0
    butyronitrile 250.04
    3,7-dimethyl-1-octanol 114.7
    1-chlorooctane 113.23
    1-chlorotetradecane 54.07
    n-nonane 33.79
    undecane 27.96
    tert-butylcyclohexane 36.22
    cyclooctane 25.73
    cyclopentanol 253.16
    tetrahydropyran 306.43
    tert-amyl methyl ether 129.91
    2,5,8-trioxanonane 299.31
    1-hexene 102.27
    2-isopropoxyethanol 145.53
    2,2,2-trifluoroethanol 138.25
    methyl butyrate 248.96

    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