alpha-Ethyl-3-cyclooctene-1-methanol

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  • Identifiers

    CAS number
    681433-04-5

    Molecular formula
    C11H20O

    SMILES
    CCC(C1CCCC/C=C\C1)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 67.88%
    Floral 67.0%
    Green 61.3%
    Herbal 58.04%
    Fresh 41.1%
    Jasmin 34.31%
    Rose 33.88%
    Earthy 32.13%
    Natural 31.85%
    Woody 30.67%

     

    Flavor
    Herbal 34.84%
    Herb 33.04%
    Fruity 30.15%
    Minty 28.01%
    Mint 25.65%
    Fruit 24.85%
    Spicy 21.91%
    Spice 20.88%
    Green 20.45%
    Mentholic 20.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.82 (weak base)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    238°C

    Flash point

    • 111.34 ˚C est.

  • Synonyms

    • 3-Cyclooctene-1-methanol, alpha-ethyl-
    • DTXSID70889203
    • alpha-Ethyl-3-cyclooctene-1-methanol
    • 3-Cyclooctene-1-methanol, .alpha.-ethyl-
    • RefChem:555700
    • DTXCID101028470
    • 681433-04-5
    • SCHEMBL1183815
    • LLYJRIQMURUPPF-XQRVVYSFSA-N
    • 1-[(3Z)-cyclooct-3-en-1-yl]propan-1-ol
    • 681433-04-5

  • Applications

    alpha-Ethyl-3-cyclooctene-1-methanol (CAS 681433-04-5) is primarily used as a versatile organic synthesis intermediate. Its hydroxyl group enables straightforward ester and ether formation, while the cyclooctene moiety provides a reactive, strained alkene for additional transformations. In polymers and plastics, it can act as a monomer or comonomer in ring-opening metathesis polymerization (ROMP) to yield functional cyclooctene-containing polymers with pendant hydroxyl groups for crosslinking or post-polymerization modification. In coatings and adhesives, it serves as a functionalized intermediate that can be incorporated into resin systems or converted to reactive crosslinkers. In pharmaceutical research, it is often evaluated as a chiral or conformationally constrained building block for the synthesis of advanced intermediates. Its use, like all specialty chemicals, is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4921.58
    methanol 3494.97
    isopropanol 5217.2
    water 0.22
    ethyl acetate 2543.37
    n-propanol 4040.58
    acetone 3065.56
    n-butanol 3992.41
    acetonitrile 2737.65
    DMF 1734.41
    toluene 1074.17
    isobutanol 2784.97
    1,4-dioxane 4052.59
    methyl acetate 1633.0
    THF 5517.4
    2-butanone 2313.19
    n-pentanol 1863.53
    sec-butanol 2954.04
    n-hexane 691.96
    ethylene glycol 210.51
    NMP 758.84
    cyclohexane 1226.88
    DMSO 2412.19
    n-butyl acetate 2515.01
    n-octanol 692.61
    chloroform 4413.65
    n-propyl acetate 1362.1
    acetic acid 1134.25
    dichloromethane 4022.69
    cyclohexanone 2506.46
    propylene glycol 408.39
    isopropyl acetate 1403.84
    DMAc 726.29
    2-ethoxyethanol 1215.31
    isopentanol 2781.92
    n-heptane 603.67
    ethyl formate 1260.5
    1,2-dichloroethane 2589.88
    n-hexanol 2735.12
    2-methoxyethanol 2424.07
    isobutyl acetate 793.9
    tetrachloromethane 810.23
    n-pentyl acetate 925.13
    transcutol 3750.29
    n-heptanol 869.94
    ethylbenzene 396.67
    MIBK 1174.86
    2-propoxyethanol 2323.52
    tert-butanol 4209.55
    MTBE 3348.39
    2-butoxyethanol 1064.91
    propionic acid 1141.83
    o-xylene 410.63
    formic acid 185.56
    diethyl ether 4590.72
    m-xylene 573.53
    p-xylene 415.04
    chlorobenzene 1034.7
    dimethyl carbonate 284.34
    n-octane 169.52
    formamide 329.05
    cyclopentanone 2279.21
    2-pentanone 2430.16
    anisole 650.57
    cyclopentyl methyl ether 2061.16
    gamma-butyrolactone 1975.65
    1-methoxy-2-propanol 1969.94
    pyridine 2498.68
    3-pentanone 1195.37
    furfural 1170.96
    n-dodecane 92.24
    diethylene glycol 887.97
    diisopropyl ether 1027.17
    tert-amyl alcohol 2038.74
    acetylacetone 1192.99
    n-hexadecane 103.53
    acetophenone 459.33
    methyl propionate 1238.12
    isopentyl acetate 1767.6
    trichloroethylene 3052.92
    n-nonanol 562.99
    cyclohexanol 2068.51
    benzyl alcohol 517.32
    2-ethylhexanol 1294.08
    isooctanol 635.73
    dipropyl ether 2283.97
    1,2-dichlorobenzene 655.6
    ethyl lactate 289.12
    propylene carbonate 1035.66
    n-methylformamide 1025.55
    2-pentanol 2493.03
    n-pentane 929.59
    1-propoxy-2-propanol 1854.26
    1-methoxy-2-propyl acetate 1124.87
    2-(2-methoxypropoxy) propanol 553.57
    mesitylene 364.22
    ε-caprolactone 1728.42
    p-cymene 326.23
    epichlorohydrin 2699.06
    1,1,1-trichloroethane 2128.19
    2-aminoethanol 690.48
    morpholine-4-carbaldehyde 1083.58
    sulfolane 1456.29
    2,2,4-trimethylpentane 198.78
    2-methyltetrahydrofuran 3922.69
    n-hexyl acetate 1023.22
    isooctane 241.33
    2-(2-butoxyethoxy)ethanol 963.05
    sec-butyl acetate 747.96
    tert-butyl acetate 1143.58
    decalin 219.06
    glycerin 394.11
    diglyme 1704.09
    acrylic acid 588.21
    isopropyl myristate 355.79
    n-butyric acid 2543.86
    acetyl acetate 771.83
    di(2-ethylhexyl) phthalate 246.26
    ethyl propionate 845.64
    nitromethane 1564.16
    1,2-diethoxyethane 2232.69
    benzonitrile 922.91
    trioctyl phosphate 236.32
    1-bromopropane 2934.0
    gamma-valerolactone 2177.5
    n-decanol 404.02
    triethyl phosphate 278.03
    4-methyl-2-pentanol 1023.59
    propionitrile 2497.74
    vinylene carbonate 839.73
    1,1,2-trichlorotrifluoroethane 955.04
    DMS 408.41
    cumene 244.05
    2-octanol 521.79
    2-hexanone 1345.08
    octyl acetate 418.0
    limonene 626.71
    1,2-dimethoxyethane 2468.16
    ethyl orthosilicate 317.53
    tributyl phosphate 284.02
    diacetone alcohol 931.44
    N,N-dimethylaniline 336.88
    acrylonitrile 1742.07
    aniline 1050.41
    1,3-propanediol 1389.24
    bromobenzene 1168.4
    dibromomethane 3466.59
    1,1,2,2-tetrachloroethane 2199.19
    2-methyl-cyclohexyl acetate 557.23
    tetrabutyl urea 316.47
    diisobutyl methanol 665.8
    2-phenylethanol 688.86
    styrene 563.56
    dioctyl adipate 382.51
    dimethyl sulfate 299.44
    ethyl butyrate 1320.1
    methyl lactate 351.36
    butyl lactate 500.73
    diethyl carbonate 612.55
    propanediol butyl ether 701.48
    triethyl orthoformate 696.42
    p-tert-butyltoluene 323.34
    methyl 4-tert-butylbenzoate 418.77
    morpholine 4628.35
    tert-butylamine 3252.91
    n-dodecanol 305.39
    dimethoxymethane 1859.35
    ethylene carbonate 911.66
    cyrene 354.1
    2-ethoxyethyl acetate 923.53
    2-ethylhexyl acetate 1239.3
    1,2,4-trichlorobenzene 648.41
    4-methylpyridine 2119.23
    dibutyl ether 1278.64
    2,6-dimethyl-4-heptanol 665.8
    DEF 1457.7
    dimethyl isosorbide 799.73
    tetrachloroethylene 1563.93
    eugenol 381.18
    triacetin 520.9
    span 80 579.67
    1,4-butanediol 363.46
    1,1-dichloroethane 3394.89
    2-methyl-1-pentanol 1196.62
    methyl formate 612.76
    2-methyl-1-butanol 2162.63
    n-decane 174.85
    butyronitrile 3477.62
    3,7-dimethyl-1-octanol 667.74
    1-chlorooctane 517.94
    1-chlorotetradecane 179.81
    n-nonane 199.57
    undecane 121.04
    tert-butylcyclohexane 209.13
    cyclooctane 336.29
    cyclopentanol 1907.72
    tetrahydropyran 6134.24
    tert-amyl methyl ether 1374.69
    2,5,8-trioxanonane 920.25
    1-hexene 1813.38
    2-isopropoxyethanol 852.59
    2,2,2-trifluoroethanol 205.69
    methyl butyrate 1325.12

    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