Vinylcyclohexane

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  • Identifiers

    CAS number
    695-12-5

    Molecular formula
    C8H14

    SMILES
    C=CC1CCCCC1

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Citrus 60.47%
    Gassy 42.67%
    Herbal 35.61%
    Green 30.51%
    Lemon 29.04%
    Fresh 28.22%
    Sweet 27.73%
    Terpenic 25.47%
    Woody 23.97%
    Spicy 23.06%

     

    Flavor
    Ammoniacal 20.53%
    Terpentine 20.16%
    Shrimp 19.95%
    Alkaline 19.33%
    Citric 18.82%
    Pumpkin 18.34%
    Oriental 18.25%
    Diterpene 18.22%
    Tar 18.15%
    Tarry 18.11%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.97 (weak base)

    Molecular weight
    110.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    127°C

    Flash point

    • 18.79 ˚C est.

  • Synonyms

    • Vinylcyclohexane
    • 695-12-5
    • Ethenylcyclohexane
    • Cyclohexylethylene
    • Cyclohexane, ethenyl-
    • CYCLOHEXANE, VINYL-
    • Cyclohexylethene
    • vinyl cyclohexane
    • 1-Vinylcyclohexane
    • EINECS 211-779-3
    • UNII-Q49PJ3TT00
    • NSC 73939
    • BRN 1304663
    • Q49PJ3TT00
    • NSC-73939
    • LDLDYFCCDKENPD-UHFFFAOYSA-
    • DTXSID90219725
    • 4-05-00-00268 (Beilstein Handbook Reference)
    • MFCD00001514
    • Vinylcyclohexane (Stabilized by TBC)
    • vinyl-cyclohexane
    • NSC73939
    • Vinylcyclohexane, 98%
    • Vinylcyclohexane, >=99%
    • Cyclohexane, ethenyl-(9CI)
    • DTXCID40142216
    • AKOS009158839
    • LS-13469
    • SY049977
    • NS00022700
    • V0022
    • D92778
    • Q27286987
    • 211-779-3

  • Applications

    Vinylcyclohexane (CAS 695-12-5) is primarily used as a chemical building block in organic synthesis and as a reactive monomer for specialty polymers and plastics; it may serve as a diluent or reactive component in coatings and inks; it can function as an intermediate in the synthesis of cyclohexyl-containing compounds in industrial manufacturing; it may act as a solvent or reaction medium in some processes; and it has potential applications in the fragrance industry as a fragrance note or odorant precursor, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 907.71
    methanol 442.22
    isopropanol 1133.01
    water 0.04
    ethyl acetate 2305.99
    n-propanol 1107.67
    acetone 1884.17
    n-butanol 1412.64
    acetonitrile 1181.99
    DMF 1027.78
    toluene 1662.92
    isobutanol 1010.23
    1,4-dioxane 2811.6
    methyl acetate 1476.18
    THF 4956.23
    2-butanone 2035.85
    n-pentanol 911.47
    sec-butanol 1327.36
    n-hexane 1805.04
    ethylene glycol 51.3
    NMP 1165.83
    cyclohexane 2113.58
    DMSO 1318.69
    n-butyl acetate 3917.75
    n-octanol 651.32
    chloroform 4295.79
    n-propyl acetate 1412.82
    acetic acid 404.62
    dichloromethane 3435.36
    cyclohexanone 2788.98
    propylene glycol 150.25
    isopropyl acetate 1477.66
    DMAc 734.79
    2-ethoxyethanol 646.58
    isopentanol 1361.13
    n-heptane 2073.79
    ethyl formate 767.88
    1,2-dichloroethane 2405.6
    n-hexanol 2358.38
    2-methoxyethanol 911.43
    isobutyl acetate 938.92
    tetrachloromethane 1211.17
    n-pentyl acetate 1119.87
    transcutol 2649.96
    n-heptanol 708.9
    ethylbenzene 685.81
    MIBK 1418.93
    2-propoxyethanol 1897.62
    tert-butanol 1770.18
    MTBE 2778.6
    2-butoxyethanol 812.21
    propionic acid 667.06
    o-xylene 718.26
    formic acid 40.54
    diethyl ether 3598.47
    m-xylene 942.5
    p-xylene 743.7
    chlorobenzene 1529.65
    dimethyl carbonate 310.06
    n-octane 485.4
    formamide 74.18
    cyclopentanone 2699.23
    2-pentanone 2142.66
    anisole 907.68
    cyclopentyl methyl ether 2814.69
    gamma-butyrolactone 2122.07
    1-methoxy-2-propanol 1059.19
    pyridine 2297.4
    3-pentanone 1556.88
    furfural 1303.23
    n-dodecane 225.57
    diethylene glycol 509.84
    diisopropyl ether 1370.51
    tert-amyl alcohol 1420.73
    acetylacetone 1386.35
    n-hexadecane 262.63
    acetophenone 602.03
    methyl propionate 1208.78
    isopentyl acetate 2559.7
    trichloroethylene 3086.66
    n-nonanol 587.95
    cyclohexanol 1423.7
    benzyl alcohol 465.17
    2-ethylhexanol 1869.29
    isooctanol 598.91
    dipropyl ether 4146.44
    1,2-dichlorobenzene 1117.12
    ethyl lactate 319.41
    propylene carbonate 1402.1
    n-methylformamide 393.42
    2-pentanol 1381.64
    n-pentane 1453.3
    1-propoxy-2-propanol 2089.3
    1-methoxy-2-propyl acetate 1607.86
    2-(2-methoxypropoxy) propanol 589.52
    mesitylene 650.18
    ε-caprolactone 2077.68
    p-cymene 697.7
    epichlorohydrin 2584.56
    1,1,1-trichloroethane 3054.39
    2-aminoethanol 177.77
    morpholine-4-carbaldehyde 1146.76
    sulfolane 1942.27
    2,2,4-trimethylpentane 413.85
    2-methyltetrahydrofuran 4242.87
    n-hexyl acetate 1244.72
    isooctane 447.71
    2-(2-butoxyethoxy)ethanol 936.27
    sec-butyl acetate 969.4
    tert-butyl acetate 1693.19
    decalin 545.5
    glycerin 160.78
    diglyme 1771.93
    acrylic acid 356.8
    isopropyl myristate 608.41
    n-butyric acid 1486.5
    acetyl acetate 984.95
    di(2-ethylhexyl) phthalate 296.03
    ethyl propionate 1141.77
    nitromethane 785.36
    1,2-diethoxyethane 2668.68
    benzonitrile 951.2
    trioctyl phosphate 293.95
    1-bromopropane 3403.71
    gamma-valerolactone 2079.25
    n-decanol 463.52
    triethyl phosphate 493.04
    4-methyl-2-pentanol 814.32
    propionitrile 1597.41
    vinylene carbonate 951.04
    1,1,2-trichlorotrifluoroethane 909.31
    DMS 536.03
    cumene 408.97
    2-octanol 519.67
    2-hexanone 1570.28
    octyl acetate 648.68
    limonene 1430.42
    1,2-dimethoxyethane 1924.0
    ethyl orthosilicate 570.46
    tributyl phosphate 396.69
    diacetone alcohol 1052.03
    N,N-dimethylaniline 505.06
    acrylonitrile 1179.69
    aniline 1063.68
    1,3-propanediol 391.56
    bromobenzene 1957.28
    dibromomethane 3141.04
    1,1,2,2-tetrachloroethane 2669.33
    2-methyl-cyclohexyl acetate 1009.13
    tetrabutyl urea 478.59
    diisobutyl methanol 999.67
    2-phenylethanol 838.24
    styrene 891.06
    dioctyl adipate 565.5
    dimethyl sulfate 377.22
    ethyl butyrate 2318.41
    methyl lactate 290.55
    butyl lactate 559.6
    diethyl carbonate 1056.23
    propanediol butyl ether 480.71
    triethyl orthoformate 1287.67
    p-tert-butyltoluene 666.88
    methyl 4-tert-butylbenzoate 526.5
    morpholine 2911.94
    tert-butylamine 1626.17
    n-dodecanol 392.13
    dimethoxymethane 1177.0
    ethylene carbonate 1022.85
    cyrene 384.75
    2-ethoxyethyl acetate 962.13
    2-ethylhexyl acetate 2209.84
    1,2,4-trichlorobenzene 1080.93
    4-methylpyridine 2120.81
    dibutyl ether 2169.02
    2,6-dimethyl-4-heptanol 999.67
    DEF 1566.24
    dimethyl isosorbide 1140.49
    tetrachloroethylene 1689.06
    eugenol 423.58
    triacetin 648.42
    span 80 649.32
    1,4-butanediol 135.47
    1,1-dichloroethane 3055.42
    2-methyl-1-pentanol 846.35
    methyl formate 293.61
    2-methyl-1-butanol 1181.75
    n-decane 425.31
    butyronitrile 2087.17
    3,7-dimethyl-1-octanol 860.8
    1-chlorooctane 936.38
    1-chlorotetradecane 353.32
    n-nonane 505.65
    undecane 294.47
    tert-butylcyclohexane 489.3
    cyclooctane 832.49
    cyclopentanol 1272.2
    tetrahydropyran 4833.81
    tert-amyl methyl ether 1746.21
    2,5,8-trioxanonane 1003.62
    1-hexene 2908.72
    2-isopropoxyethanol 624.52
    2,2,2-trifluoroethanol 106.26
    methyl butyrate 1466.92

    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