4-Vinylcyclohexene

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  • Identifiers

    CAS number
    100-40-3

    Molecular formula
    C8H12

    SMILES
    C=CC1CCC=CC1

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Citrus 59.86%
    Herbal 42.22%
    Gassy 39.88%
    Green 39.35%
    Spicy 31.49%
    Lemon 29.19%
    Fresh 27.75%
    Terpenic 27.19%
    Sweet 24.04%
    Woody 23.93%

     

    Flavor
    Spice 24.6%
    Ammoniacal 21.83%
    Terpentine 20.43%
    Shrimp 20.27%
    Alkaline 19.35%
    Sweet 19.17%
    Citric 18.76%
    Oriental 18.27%
    Pumpkin 18.21%
    Tar 18.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.53 (weak base)

    Molecular weight
    108.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -108.9 °C
    • -109 °C
    • -150 °F

    Boiling point

    • 128 °C @ 760 mm Hg
    • 128 °C
    • 259-261 °F

    Flash point

    • 19.46 ˚C est.
    • 61 °F (Closed cup), 16 °C
    • 16 °C c.c.
    • 60 °F

    Solubility expt.

    • Miscible with methanol
    • Soluble in ether, benzene, petroleum ether.
    • In water, 50 mg/l @ 25 °C
    • Solubility in water, mg/l at 25 °C: 50 (practically insoluble)

  • Synonyms

    • 4-Vinylcyclohexene
    • 4-VINYL-1-CYCLOHEXENE
    • 100-40-3
    • Cyclohexene, 4-ethenyl-
    • 4-Ethenylcyclohexene
    • 4-vinylcyclohex-1-ene
    • Cyclohexenylethylene
    • Butadiene dimer
    • Cyclohexene, 4-vinyl-
    • 4-Ethenyl-1-cyclohexene
    • 4-Vinylcyclohexene-1
    • 1-Vinylcyclohexene-3
    • Ethenyl-1-cyclohexene
    • 4-Vinyl cyclohexene
    • 1-Cyclohexene, 4-vinyl-
    • Vinylcyclohexene, 4-
    • NCI-C54999
    • 1,2,3,4-Tetrahydrostyrene
    • 1-Vinyl-3-cyclohexene
    • 1-Vinylcyclohex-3-ene
    • NSC 15760
    • CCRIS 1422
    • HSDB 2872
    • EINECS 202-848-9
    • UNII-212JQJ15PS
    • BRN 1901553
    • 212JQJ15PS
    • DTXSID3021437
    • AI3-08499
    • 4-VINYLCYCLOHENE
    • NSC-15760
    • 4-VCH
    • DTXCID601437
    • CHEBI:82377
    • 4-VINYLCYCLOHEXENE [IARC]
    • EC 202-848-9
    • 4-05-00-00406 (Beilstein Handbook Reference)
    • 4-VINYLCYCLOHEXENE (IARC)
    • 4-ethenylcyclohex-1-ene
    • 4-vinylcylohexene
    • 4-vinyl-cyclohexene
    • 5-Ethenylcyclohexene
    • MFCD00001576
    • 1,3,4-Tetrahydrostyrene
    • WLN: L6UTJ D1U1
    • Cyclohexene, 4-vinyl-(8CI)
    • 4-Vinyl-1-cyclohexene, 99%
    • CHEMBL1330194
    • NSC15760
    • Tox21_200388
    • AKOS015903842
    • NCGC00091539-01
    • NCGC00091539-02
    • NCGC00091539-03
    • NCGC00257942-01
    • CAS-100-40-3
    • LS-13442
    • 4-Vinyl-1-cyclohexene, analytical standard
    • DS-015484
    • NS00008744
    • V0023
    • 4-Vinyl-1-cyclohexene (stabilized with BHT)
    • C19310
    • D92779
    • EN300-123688
    • 4-Vinyl-1-cyclohexene 2000 microg/mL in Methanol
    • Q4637205

  • Applications

    4-Vinylcyclohexene (CAS 100-40-3) is a vinyl cyclohexene monomer used as a building block for specialty polymers and coatings, with the ability to copolymerize with other vinyl monomers such as styrene or acrylates to tailor mechanical properties and thermal stability. It is also considered a reactive diluent in coating and adhesive systems, including UV-curable formulations, and serves as an intermediate in organic synthesis to access specialty polymers. Additionally, VCH may be evaluated for rubber modification applications, depending on local regulations and formulation restrictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1020.19
    methanol 518.24
    isopropanol 1098.66
    water 0.09
    ethyl acetate 2089.55
    n-propanol 1092.61
    acetone 1428.69
    n-butanol 1299.23
    acetonitrile 1084.25
    DMF 750.85
    toluene 1337.68
    isobutanol 865.9
    1,4-dioxane 2507.32
    methyl acetate 1324.56
    THF 3295.22
    2-butanone 1681.04
    n-pentanol 870.87
    sec-butanol 1191.84
    n-hexane 1091.71
    ethylene glycol 64.67
    NMP 774.32
    cyclohexane 1186.59
    DMSO 1170.44
    n-butyl acetate 2853.42
    n-octanol 467.36
    chloroform 3120.68
    n-propyl acetate 1153.69
    acetic acid 394.82
    dichloromethane 2605.92
    cyclohexanone 1734.83
    propylene glycol 162.1
    isopropyl acetate 1189.24
    DMAc 585.41
    2-ethoxyethanol 630.42
    isopentanol 1118.17
    n-heptane 1098.32
    ethyl formate 627.25
    1,2-dichloroethane 1815.0
    n-hexanol 1976.74
    2-methoxyethanol 818.61
    isobutyl acetate 744.63
    tetrachloromethane 824.51
    n-pentyl acetate 760.13
    transcutol 2565.95
    n-heptanol 513.89
    ethylbenzene 509.11
    MIBK 1093.81
    2-propoxyethanol 1604.85
    tert-butanol 1398.11
    MTBE 2177.95
    2-butoxyethanol 632.9
    propionic acid 618.14
    o-xylene 551.58
    formic acid 50.34
    diethyl ether 3048.34
    m-xylene 735.01
    p-xylene 524.7
    chlorobenzene 1077.77
    dimethyl carbonate 275.46
    n-octane 262.27
    formamide 86.84
    cyclopentanone 1630.18
    2-pentanone 1643.78
    anisole 762.04
    cyclopentyl methyl ether 2010.44
    gamma-butyrolactone 1345.97
    1-methoxy-2-propanol 961.87
    pyridine 1858.89
    3-pentanone 1214.2
    furfural 911.39
    n-dodecane 132.72
    diethylene glycol 497.57
    diisopropyl ether 985.97
    tert-amyl alcohol 1127.45
    acetylacetone 1056.04
    n-hexadecane 150.03
    acetophenone 479.63
    methyl propionate 1056.96
    isopentyl acetate 1722.02
    trichloroethylene 2235.56
    n-nonanol 417.57
    cyclohexanol 1051.27
    benzyl alcohol 399.34
    2-ethylhexanol 1297.01
    isooctanol 428.27
    dipropyl ether 2586.83
    1,2-dichlorobenzene 707.8
    ethyl lactate 263.62
    propylene carbonate 928.35
    n-methylformamide 353.8
    2-pentanol 1199.74
    n-pentane 992.21
    1-propoxy-2-propanol 1567.83
    1-methoxy-2-propyl acetate 1258.77
    2-(2-methoxypropoxy) propanol 514.09
    mesitylene 474.86
    ε-caprolactone 1488.92
    p-cymene 431.12
    epichlorohydrin 1891.26
    1,1,1-trichloroethane 2106.24
    2-aminoethanol 200.78
    morpholine-4-carbaldehyde 905.5
    sulfolane 1264.45
    2,2,4-trimethylpentane 276.9
    2-methyltetrahydrofuran 2999.72
    n-hexyl acetate 867.52
    isooctane 308.61
    2-(2-butoxyethoxy)ethanol 802.74
    sec-butyl acetate 750.86
    tert-butyl acetate 1243.89
    decalin 323.85
    glycerin 168.97
    diglyme 1413.32
    acrylic acid 338.05
    isopropyl myristate 384.49
    n-butyric acid 1251.29
    acetyl acetate 813.6
    di(2-ethylhexyl) phthalate 220.82
    ethyl propionate 922.21
    nitromethane 695.43
    1,2-diethoxyethane 2106.48
    benzonitrile 711.69
    trioctyl phosphate 200.36
    1-bromopropane 2600.13
    gamma-valerolactone 1434.77
    n-decanol 336.74
    triethyl phosphate 333.14
    4-methyl-2-pentanol 674.38
    propionitrile 1313.73
    vinylene carbonate 687.03
    1,1,2-trichlorotrifluoroethane 700.48
    DMS 428.0
    cumene 288.82
    2-octanol 348.98
    2-hexanone 1204.23
    octyl acetate 432.12
    limonene 800.48
    1,2-dimethoxyethane 1483.57
    ethyl orthosilicate 377.08
    tributyl phosphate 263.52
    diacetone alcohol 850.94
    N,N-dimethylaniline 383.49
    acrylonitrile 951.96
    aniline 881.43
    1,3-propanediol 380.02
    bromobenzene 1362.0
    dibromomethane 2350.13
    1,1,2,2-tetrachloroethane 1834.44
    2-methyl-cyclohexyl acetate 672.51
    tetrabutyl urea 322.37
    diisobutyl methanol 637.17
    2-phenylethanol 695.21
    styrene 713.02
    dioctyl adipate 387.71
    dimethyl sulfate 319.46
    ethyl butyrate 1643.17
    methyl lactate 271.93
    butyl lactate 378.28
    diethyl carbonate 737.67
    propanediol butyl ether 397.23
    triethyl orthoformate 848.98
    p-tert-butyltoluene 406.5
    methyl 4-tert-butylbenzoate 379.66
    morpholine 2476.02
    tert-butylamine 1196.33
    n-dodecanol 287.41
    dimethoxymethane 1028.25
    ethylene carbonate 717.97
    cyrene 306.75
    2-ethoxyethyl acetate 755.67
    2-ethylhexyl acetate 1483.78
    1,2,4-trichlorobenzene 736.18
    4-methylpyridine 1668.23
    dibutyl ether 1367.35
    2,6-dimethyl-4-heptanol 637.17
    DEF 1227.28
    dimethyl isosorbide 867.26
    tetrachloroethylene 1169.9
    eugenol 339.01
    triacetin 492.44
    span 80 492.29
    1,4-butanediol 143.99
    1,1-dichloroethane 2264.74
    2-methyl-1-pentanol 779.27
    methyl formate 243.77
    2-methyl-1-butanol 1038.71
    n-decane 240.41
    butyronitrile 1649.67
    3,7-dimethyl-1-octanol 600.66
    1-chlorooctane 571.76
    1-chlorotetradecane 220.48
    n-nonane 280.3
    undecane 168.45
    tert-butylcyclohexane 306.89
    cyclooctane 473.26
    cyclopentanol 864.44
    tetrahydropyran 3616.67
    tert-amyl methyl ether 1337.14
    2,5,8-trioxanonane 869.33
    1-hexene 2035.27
    2-isopropoxyethanol 578.58
    2,2,2-trifluoroethanol 100.94
    methyl butyrate 1126.35

    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