Carbonic acid, 4-cycloocten-1-yl methyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    87731-18-8

    Molecular formula
    C10H16O3

    SMILES
    COC(=O)OC1CCC/C=C\CC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 76.01%
    Green 68.71%
    Fruity 67.11%
    Herbal 54.4%
    Woody 46.92%
    Fresh 46.33%
    Waxy 38.75%
    Jasmin 37.89%
    Sweet 36.35%
    Rose 35.93%

     

    Flavor
    Fruity 75.18%
    Pineapple 40.44%
    Fruit 39.55%
    Floral 31.89%
    Green 31.36%
    Berry 28.9%
    Tropical 27.11%
    Rose 27.0%
    Herbal 25.29%
    Sweet 25.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.55 (neutral)

    Molecular weight
    184.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    237°C

    Flash point

    • 115.44 ˚C est.

  • Synonyms

    • Carbonic acid, 4-cycloocten-1-yl methyl ester
    • 87731-18-8
    • [(4Z)-cyclooct-4-en-1-yl] methyl carbonate
    • methoxycarbonyloxycyclooct-4-ene
    • (Z)-cyclooct-4-en-1-yl methyl carbonate
    • EC 401-620-8
    • SCHEMBL756915
    • LDHHCYCOENSXIM-IHWYPQMZSA-N
    • 401-620-8
    • Violiff

  • Applications

    Carbonic acid, 4-cycloocten-1-yl methyl ester (CAS 87731-18-8) is a specialty carbonate ester primarily used as an intermediate in polymer and materials formulations. In industrial manufacturing, it can serve as a monomer or reactive diluent in the synthesis of cyclic or polycarbonate polymers, particularly via ring-opening metathesis polymerization of the cyclooctene moiety, and as a functional crosslinker in UV-curable coatings and inks to adjust crosslink density and mechanical properties. It is also used as an organic synthesis intermediate offering a carbonate handle that can be selectively activated or displaced, for example in protecting-group strategies or in the preparation of carbonate-containing building blocks. In adhesives formulations, it may contribute to crosslinking and help tailor thermal and mechanical performance. Some applications are experimental or specialty and depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 697.93
    methanol 839.21
    isopropanol 584.79
    water 0.14
    ethyl acetate 453.56
    n-propanol 529.59
    acetone 746.0
    n-butanol 461.72
    acetonitrile 454.71
    DMF 1389.94
    toluene 360.01
    isobutanol 385.06
    1,4-dioxane 915.87
    methyl acetate 406.27
    THF 1148.23
    2-butanone 491.65
    n-pentanol 354.33
    sec-butanol 462.26
    n-hexane 40.68
    ethylene glycol 105.99
    NMP 917.96
    cyclohexane 86.68
    DMSO 1599.95
    n-butyl acetate 336.59
    n-octanol 136.21
    chloroform 1642.66
    n-propyl acetate 280.58
    acetic acid 558.49
    dichloromethane 1563.69
    cyclohexanone 756.34
    propylene glycol 155.71
    isopropyl acetate 292.09
    DMAc 698.59
    2-ethoxyethanol 394.87
    isopentanol 407.7
    n-heptane 17.46
    ethyl formate 276.44
    1,2-dichloroethane 1027.58
    n-hexanol 303.97
    2-methoxyethanol 664.91
    isobutyl acetate 178.28
    tetrachloromethane 135.55
    n-pentyl acetate 208.75
    transcutol 1221.45
    n-heptanol 130.46
    ethylbenzene 153.96
    MIBK 289.61
    2-propoxyethanol 438.51
    tert-butanol 634.25
    MTBE 435.58
    2-butoxyethanol 249.9
    propionic acid 382.01
    o-xylene 197.8
    formic acid 166.18
    diethyl ether 473.55
    m-xylene 236.3
    p-xylene 187.55
    chlorobenzene 457.88
    dimethyl carbonate 175.81
    n-octane 11.02
    formamide 278.01
    cyclopentanone 907.97
    2-pentanone 469.1
    anisole 305.17
    cyclopentyl methyl ether 502.55
    gamma-butyrolactone 1021.66
    1-methoxy-2-propanol 539.51
    pyridine 839.4
    3-pentanone 308.28
    furfural 714.1
    n-dodecane 12.25
    diethylene glycol 333.78
    diisopropyl ether 124.88
    tert-amyl alcohol 447.09
    acetylacetone 456.17
    n-hexadecane 14.26
    acetophenone 275.44
    methyl propionate 379.72
    isopentyl acetate 286.17
    trichloroethylene 1633.33
    n-nonanol 116.81
    cyclohexanol 449.37
    benzyl alcohol 260.49
    2-ethylhexanol 155.13
    isooctanol 112.29
    dipropyl ether 151.21
    1,2-dichlorobenzene 374.08
    ethyl lactate 136.05
    propylene carbonate 465.45
    n-methylformamide 497.99
    2-pentanol 349.59
    n-pentane 43.94
    1-propoxy-2-propanol 292.48
    1-methoxy-2-propyl acetate 284.59
    2-(2-methoxypropoxy) propanol 248.43
    mesitylene 145.77
    ε-caprolactone 575.51
    p-cymene 83.48
    epichlorohydrin 1179.24
    1,1,1-trichloroethane 640.61
    2-aminoethanol 251.93
    morpholine-4-carbaldehyde 674.37
    sulfolane 1191.96
    2,2,4-trimethylpentane 26.83
    2-methyltetrahydrofuran 779.42
    n-hexyl acetate 283.46
    isooctane 22.36
    2-(2-butoxyethoxy)ethanol 386.56
    sec-butyl acetate 193.39
    tert-butyl acetate 311.73
    decalin 43.96
    glycerin 209.61
    diglyme 631.88
    acrylic acid 335.98
    isopropyl myristate 105.35
    n-butyric acid 517.43
    acetyl acetate 275.7
    di(2-ethylhexyl) phthalate 118.23
    ethyl propionate 242.5
    nitromethane 736.85
    1,2-diethoxyethane 351.04
    benzonitrile 365.8
    trioctyl phosphate 85.35
    1-bromopropane 601.26
    gamma-valerolactone 871.7
    n-decanol 88.0
    triethyl phosphate 100.04
    4-methyl-2-pentanol 180.89
    propionitrile 420.77
    vinylene carbonate 444.65
    1,1,2-trichlorotrifluoroethane 592.7
    DMS 223.72
    cumene 99.32
    2-octanol 100.58
    2-hexanone 286.33
    octyl acetate 138.41
    limonene 122.27
    1,2-dimethoxyethane 602.08
    ethyl orthosilicate 97.11
    tributyl phosphate 102.41
    diacetone alcohol 353.46
    N,N-dimethylaniline 199.16
    acrylonitrile 542.0
    aniline 406.77
    1,3-propanediol 357.05
    bromobenzene 536.81
    dibromomethane 1114.88
    1,1,2,2-tetrachloroethane 1334.46
    2-methyl-cyclohexyl acetate 168.99
    tetrabutyl urea 132.66
    diisobutyl methanol 97.75
    2-phenylethanol 227.72
    styrene 223.75
    dioctyl adipate 154.25
    dimethyl sulfate 296.17
    ethyl butyrate 197.59
    methyl lactate 196.37
    butyl lactate 169.15
    diethyl carbonate 142.76
    propanediol butyl ether 269.86
    triethyl orthoformate 140.0
    p-tert-butyltoluene 81.75
    methyl 4-tert-butylbenzoate 228.81
    morpholine 1099.24
    tert-butylamine 367.31
    n-dodecanol 68.75
    dimethoxymethane 595.49
    ethylene carbonate 358.52
    cyrene 252.35
    2-ethoxyethyl acetate 284.97
    2-ethylhexyl acetate 217.1
    1,2,4-trichlorobenzene 427.78
    4-methylpyridine 733.46
    dibutyl ether 158.08
    2,6-dimethyl-4-heptanol 97.75
    DEF 533.93
    dimethyl isosorbide 378.13
    tetrachloroethylene 758.6
    eugenol 234.55
    triacetin 246.95
    span 80 238.72
    1,4-butanediol 152.75
    1,1-dichloroethane 868.74
    2-methyl-1-pentanol 290.88
    methyl formate 339.68
    2-methyl-1-butanol 363.57
    n-decane 18.33
    butyronitrile 451.57
    3,7-dimethyl-1-octanol 139.65
    1-chlorooctane 96.24
    1-chlorotetradecane 40.12
    n-nonane 16.53
    undecane 14.5
    tert-butylcyclohexane 36.48
    cyclooctane 23.84
    cyclopentanol 495.94
    tetrahydropyran 913.89
    tert-amyl methyl ether 283.16
    2,5,8-trioxanonane 425.3
    1-hexene 191.82
    2-isopropoxyethanol 276.66
    2,2,2-trifluoroethanol 143.85
    methyl butyrate 337.67

    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