1-Cyclohexene-1-acetic acid, 1-methylethyl ester

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  • Identifiers

    CAS number
    93952-58-0

    Molecular formula
    C11H18O2

    SMILES
    CC(C)OC(=O)CC1=CCCCC1

  • Odor profile

    Fragrance
    Sweet 64.17%
    Fruity 50.91%
    Honey 50.06%
    Floral 46.34%
    Rose 44.17%
    Waxy 40.78%
    Musk 32.7%
    Balsamic 30.96%
    Animal 30.53%
    Pineapple 30.41%

     

    Flavor
    Fruity 64.26%
    Tropical 37.1%
    Sweet 33.46%
    Fruit 30.64%
    Floral 29.68%
    Herbal 28.88%
    Pineapple 27.11%
    Berry 25.6%
    Raspberry 23.33%
    Rose 22.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.05 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    236°C

    Flash point

    • 100.65 ˚C est.

  • Synonyms

    • EINECS 300-684-3
    • 93952-58-0
    • 1-Cyclohexene-1-acetic acid, 1-methylethyl ester
    • DTXSID00888729
    • Isopropyl 1-cyclohexene-1-acetate
    • SCHEMBL3508185
    • LXDRIYLDFQGETL-UHFFFAOYSA-N
    • DTXCID401028005
    • AKOS017380345
    • NS00065106

  • Applications

    1-Cyclohexene-1-acetic acid, 1-methylethyl ester (CAS 93952-58-0) can function as a reactive monomer and synthesis intermediate in polymer and coating chemistry, enabling access to specialty resins. In coatings and inks, it is used as a monomer or reactive diluent for UV- or thermally cured systems, influencing film properties and crosslink density. It also serves as a building block for specialty ester resins and adhesives, where the cyclohexene moiety contributes to rigidity and performance. In industrial manufacturing, it is encountered as an intermediate to prepare cyclic aliphatic ester derivatives and to tailor resin performance. Additionally, it may be used as a precursor in electronics-related encapsulants and insulating materials, subject to formulation constraints and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1037.74
    methanol 1177.65
    isopropanol 866.73
    water 0.95
    ethyl acetate 405.34
    n-propanol 744.43
    acetone 750.49
    n-butanol 737.68
    acetonitrile 427.85
    DMF 1125.12
    toluene 296.65
    isobutanol 558.75
    1,4-dioxane 1288.58
    methyl acetate 345.83
    THF 1455.93
    2-butanone 406.32
    n-pentanol 442.38
    sec-butanol 609.65
    n-hexane 128.63
    ethylene glycol 199.19
    NMP 787.6
    cyclohexane 261.29
    DMSO 846.04
    n-butyl acetate 373.12
    n-octanol 219.92
    chloroform 1959.8
    n-propyl acetate 217.84
    acetic acid 851.52
    dichloromethane 1139.11
    cyclohexanone 804.78
    propylene glycol 364.31
    isopropyl acetate 281.39
    DMAc 729.85
    2-ethoxyethanol 417.81
    isopentanol 568.74
    n-heptane 52.98
    ethyl formate 271.87
    1,2-dichloroethane 681.09
    n-hexanol 589.3
    2-methoxyethanol 879.05
    isobutyl acetate 169.78
    tetrachloromethane 196.02
    n-pentyl acetate 190.66
    transcutol 1751.25
    n-heptanol 183.26
    ethylbenzene 145.22
    MIBK 266.52
    2-propoxyethanol 723.61
    tert-butanol 959.67
    MTBE 512.42
    2-butoxyethanol 313.1
    propionic acid 466.16
    o-xylene 168.18
    formic acid 229.03
    diethyl ether 559.16
    m-xylene 206.51
    p-xylene 184.55
    chlorobenzene 414.66
    dimethyl carbonate 139.01
    n-octane 21.3
    formamide 245.14
    cyclopentanone 729.09
    2-pentanone 380.09
    anisole 284.05
    cyclopentyl methyl ether 565.18
    gamma-butyrolactone 749.57
    1-methoxy-2-propanol 690.17
    pyridine 791.94
    3-pentanone 259.24
    furfural 660.27
    n-dodecane 21.2
    diethylene glycol 528.85
    diisopropyl ether 158.84
    tert-amyl alcohol 582.23
    acetylacetone 419.26
    n-hexadecane 24.35
    acetophenone 236.35
    methyl propionate 295.0
    isopentyl acetate 352.49
    trichloroethylene 1305.81
    n-nonanol 193.12
    cyclohexanol 722.53
    benzyl alcohol 288.64
    2-ethylhexanol 269.35
    isooctanol 141.33
    dipropyl ether 246.26
    1,2-dichlorobenzene 349.54
    ethyl lactate 148.3
    propylene carbonate 442.71
    n-methylformamide 397.49
    2-pentanol 466.29
    n-pentane 111.41
    1-propoxy-2-propanol 494.35
    1-methoxy-2-propyl acetate 355.25
    2-(2-methoxypropoxy) propanol 385.41
    mesitylene 131.71
    ε-caprolactone 610.4
    p-cymene 95.76
    epichlorohydrin 869.06
    1,1,1-trichloroethane 670.72
    2-aminoethanol 419.93
    morpholine-4-carbaldehyde 803.52
    sulfolane 771.15
    2,2,4-trimethylpentane 45.45
    2-methyltetrahydrofuran 928.38
    n-hexyl acetate 344.31
    isooctane 36.74
    2-(2-butoxyethoxy)ethanol 540.63
    sec-butyl acetate 170.0
    tert-butyl acetate 323.98
    decalin 75.4
    glycerin 392.03
    diglyme 791.31
    acrylic acid 387.29
    isopropyl myristate 140.21
    n-butyric acid 723.26
    acetyl acetate 304.61
    di(2-ethylhexyl) phthalate 159.93
    ethyl propionate 196.9
    nitromethane 723.3
    1,2-diethoxyethane 441.08
    benzonitrile 350.32
    trioctyl phosphate 108.99
    1-bromopropane 461.29
    gamma-valerolactone 934.31
    n-decanol 141.6
    triethyl phosphate 119.82
    4-methyl-2-pentanol 236.07
    propionitrile 361.96
    vinylene carbonate 401.01
    1,1,2-trichlorotrifluoroethane 703.08
    DMS 254.92
    cumene 104.96
    2-octanol 127.59
    2-hexanone 256.89
    octyl acetate 184.47
    limonene 160.7
    1,2-dimethoxyethane 739.87
    ethyl orthosilicate 122.71
    tributyl phosphate 139.62
    diacetone alcohol 405.42
    N,N-dimethylaniline 201.57
    acrylonitrile 386.06
    aniline 430.26
    1,3-propanediol 614.26
    bromobenzene 424.85
    dibromomethane 853.05
    1,1,2,2-tetrachloroethane 1257.15
    2-methyl-cyclohexyl acetate 208.39
    tetrabutyl urea 172.66
    diisobutyl methanol 147.72
    2-phenylethanol 325.2
    styrene 200.17
    dioctyl adipate 209.74
    dimethyl sulfate 197.61
    ethyl butyrate 213.17
    methyl lactate 206.57
    butyl lactate 199.26
    diethyl carbonate 157.67
    propanediol butyl ether 390.59
    triethyl orthoformate 176.8
    p-tert-butyltoluene 96.57
    methyl 4-tert-butylbenzoate 241.8
    morpholine 1426.77
    tert-butylamine 596.34
    n-dodecanol 110.96
    dimethoxymethane 527.08
    ethylene carbonate 357.24
    cyrene 273.46
    2-ethoxyethyl acetate 271.41
    2-ethylhexyl acetate 255.49
    1,2,4-trichlorobenzene 408.75
    4-methylpyridine 708.02
    dibutyl ether 235.47
    2,6-dimethyl-4-heptanol 147.72
    DEF 432.71
    dimethyl isosorbide 498.78
    tetrachloroethylene 743.07
    eugenol 267.15
    triacetin 311.41
    span 80 377.31
    1,4-butanediol 222.9
    1,1-dichloroethane 807.63
    2-methyl-1-pentanol 354.23
    methyl formate 278.32
    2-methyl-1-butanol 490.48
    n-decane 34.41
    butyronitrile 472.96
    3,7-dimethyl-1-octanol 222.34
    1-chlorooctane 137.39
    1-chlorotetradecane 60.39
    n-nonane 33.04
    undecane 25.8
    tert-butylcyclohexane 63.66
    cyclooctane 65.07
    cyclopentanol 666.82
    tetrahydropyran 1209.13
    tert-amyl methyl ether 331.71
    2,5,8-trioxanonane 585.18
    1-hexene 318.18
    2-isopropoxyethanol 295.47
    2,2,2-trifluoroethanol 206.63
    methyl butyrate 267.11

    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