4-Vinyl-1-cyclohexenecarbaldehyde

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  • Identifiers

    CAS number
    1049017-68-6

    Molecular formula
    C9H12O

    SMILES
    C=CC1CCC(=CC1)C=O

    Safety labels

  • Odor profile

    Fragrance
    Green 83.77%
    Fruity 70.77%
    Spicy 52.21%
    Herbal 51.34%
    Aldehydic 49.05%
    Fatty 46.57%
    Citrus 35.75%
    Pungent 35.74%
    Leafy 34.11%
    Fresh 33.78%

     

    Flavor
    Sweet 56.44%
    Fatty 49.6%
    Spice 49.56%
    Cinnamon 43.83%
    Green 43.26%
    Spicy 39.77%
    Oily 39.05%
    Fat 38.94%
    Cherry 34.82%
    Herbal 32.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.09 (weak base)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    196°C

    Flash point

    • 83.79 ˚C est.

  • Synonyms

    • 5BSK1PMT63
    • 1049017-68-6
    • 1-CYCLOHEXENE-1-CARBOXALDEHYDE, 4-ETHENYL-
    • 4-Vinyl-1-cyclohexenecarbaldehyde
    • 4-Ethenyl-1-cyclohexene-1-carboxaldehyde
    • DTXSID70889263
    • FEMA NO. 4783, 4-
    • 4-VINYLCYCLOHEX-1-ENECARBOXALDEHYDE
    • RefChem:527092
    • DTXCID501028527
    • UNII-5BSK1PMT63
    • 4-ETHENYLCYCLOHEX-1-ENE-1-CARBALDEHYDE
    • SCHEMBL15142299
    • 4-vinylcyclohex-1-ene carbaldehyde
    • 1049017-68-6

  • Applications

    4-Vinyl-1-cyclohexenecarbaldehyde (CAS 1049017-68-6) is a reactive enal monomer bearing a vinyl group and an aldehyde function, enabling polymerization and crosslinking. In practice, it is evaluated as a specialty monomer for polymers/plastics and for UV-curable coatings and inks, where its vinyl group enables rapid curing and network formation. It also serves as an organic synthesis intermediate for fragrance and cosmetic raw materials, providing access to cyclohexene-derived aroma compounds or functionalized intermediates. In perfumery, it may function as a fragrance intermediate or odorant component, while in cosmetics/personal care and household products it can be considered for fragrance formulations under regulatory limits. Overall, its applications center on polymerizable monomer use and as a building block for aroma-related compounds, with use constrained by formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 429.07
    methanol 392.02
    isopropanol 273.48
    water 0.38
    ethyl acetate 1120.58
    n-propanol 362.45
    acetone 1132.47
    n-butanol 321.08
    acetonitrile 732.71
    DMF 1121.33
    toluene 523.62
    isobutanol 244.26
    1,4-dioxane 1024.34
    methyl acetate 879.81
    THF 1343.24
    2-butanone 1083.47
    n-pentanol 207.89
    sec-butanol 264.94
    n-hexane 28.89
    ethylene glycol 90.08
    NMP 1367.27
    cyclohexane 55.06
    DMSO 1891.87
    n-butyl acetate 664.64
    n-octanol 77.62
    chloroform 1665.43
    n-propyl acetate 565.08
    acetic acid 633.94
    dichloromethane 1973.32
    cyclohexanone 1283.48
    propylene glycol 125.58
    isopropyl acetate 502.35
    DMAc 785.34
    2-ethoxyethanol 411.55
    isopentanol 308.88
    n-heptane 19.39
    ethyl formate 524.08
    1,2-dichloroethane 1518.49
    n-hexanol 231.93
    2-methoxyethanol 711.35
    isobutyl acetate 254.81
    tetrachloromethane 266.29
    n-pentyl acetate 262.31
    transcutol 3888.64
    n-heptanol 81.04
    ethylbenzene 201.11
    MIBK 401.28
    2-propoxyethanol 477.41
    tert-butanol 346.66
    MTBE 366.21
    2-butoxyethanol 239.95
    propionic acid 524.29
    o-xylene 285.2
    formic acid 282.24
    diethyl ether 533.2
    m-xylene 306.12
    p-xylene 246.42
    chlorobenzene 870.63
    dimethyl carbonate 318.36
    n-octane 5.05
    formamide 664.02
    cyclopentanone 1637.24
    2-pentanone 835.28
    anisole 553.25
    cyclopentyl methyl ether 701.72
    gamma-butyrolactone 1967.8
    1-methoxy-2-propanol 490.36
    pyridine 1548.45
    3-pentanone 605.4
    furfural 1794.09
    n-dodecane 3.43
    diethylene glycol 337.94
    diisopropyl ether 138.01
    tert-amyl alcohol 308.83
    acetylacetone 1019.72
    n-hexadecane 4.24
    acetophenone 532.46
    methyl propionate 769.04
    isopentyl acetate 493.36
    trichloroethylene 3171.86
    n-nonanol 69.17
    cyclohexanol 334.34
    benzyl alcohol 372.73
    2-ethylhexanol 155.29
    isooctanol 72.1
    dipropyl ether 211.25
    1,2-dichlorobenzene 752.91
    ethyl lactate 175.71
    propylene carbonate 912.79
    n-methylformamide 811.95
    2-pentanol 221.99
    n-pentane 26.34
    1-propoxy-2-propanol 364.98
    1-methoxy-2-propyl acetate 642.41
    2-(2-methoxypropoxy) propanol 355.24
    mesitylene 160.55
    ε-caprolactone 1089.76
    p-cymene 109.85
    epichlorohydrin 2263.37
    1,1,1-trichloroethane 1224.8
    2-aminoethanol 220.38
    morpholine-4-carbaldehyde 1169.12
    sulfolane 1966.03
    2,2,4-trimethylpentane 17.44
    2-methyltetrahydrofuran 1190.64
    n-hexyl acetate 346.99
    isooctane 16.02
    2-(2-butoxyethoxy)ethanol 540.42
    sec-butyl acetate 344.2
    tert-butyl acetate 466.99
    decalin 32.09
    glycerin 187.0
    diglyme 1168.44
    acrylic acid 512.65
    isopropyl myristate 99.97
    n-butyric acid 674.78
    acetyl acetate 531.53
    di(2-ethylhexyl) phthalate 122.69
    ethyl propionate 454.12
    nitromethane 1802.78
    1,2-diethoxyethane 794.93
    benzonitrile 665.37
    trioctyl phosphate 70.32
    1-bromopropane 504.52
    gamma-valerolactone 1792.18
    n-decanol 49.04
    triethyl phosphate 152.5
    4-methyl-2-pentanol 127.16
    propionitrile 510.86
    vinylene carbonate 814.17
    1,1,2-trichlorotrifluoroethane 1090.05
    DMS 454.42
    cumene 108.64
    2-octanol 51.71
    2-hexanone 551.89
    octyl acetate 131.98
    limonene 152.59
    1,2-dimethoxyethane 735.14
    ethyl orthosilicate 146.02
    tributyl phosphate 122.46
    diacetone alcohol 515.51
    N,N-dimethylaniline 253.61
    acrylonitrile 810.23
    aniline 732.0
    1,3-propanediol 313.74
    bromobenzene 839.17
    dibromomethane 1084.83
    1,1,2,2-tetrachloroethane 2032.45
    2-methyl-cyclohexyl acetate 261.41
    tetrabutyl urea 139.41
    diisobutyl methanol 96.85
    2-phenylethanol 345.71
    styrene 301.97
    dioctyl adipate 189.79
    dimethyl sulfate 565.68
    ethyl butyrate 427.71
    methyl lactate 272.14
    butyl lactate 211.95
    diethyl carbonate 273.0
    propanediol butyl ether 265.93
    triethyl orthoformate 249.68
    p-tert-butyltoluene 101.38
    methyl 4-tert-butylbenzoate 265.26
    morpholine 1227.13
    tert-butylamine 193.57
    n-dodecanol 35.48
    dimethoxymethane 636.43
    ethylene carbonate 598.2
    cyrene 300.82
    2-ethoxyethyl acetate 555.88
    2-ethylhexyl acetate 384.53
    1,2,4-trichlorobenzene 897.63
    4-methylpyridine 1368.43
    dibutyl ether 165.01
    2,6-dimethyl-4-heptanol 96.85
    DEF 858.14
    dimethyl isosorbide 672.55
    tetrachloroethylene 1327.79
    eugenol 259.98
    triacetin 403.23
    span 80 253.99
    1,4-butanediol 104.12
    1,1-dichloroethane 1160.97
    2-methyl-1-pentanol 211.08
    methyl formate 593.9
    2-methyl-1-butanol 276.31
    n-decane 6.46
    butyronitrile 477.38
    3,7-dimethyl-1-octanol 121.5
    1-chlorooctane 61.16
    1-chlorotetradecane 18.59
    n-nonane 6.16
    undecane 4.57
    tert-butylcyclohexane 26.15
    cyclooctane 18.54
    cyclopentanol 367.42
    tetrahydropyran 961.85
    tert-amyl methyl ether 277.63
    2,5,8-trioxanonane 674.7
    1-hexene 138.29
    2-isopropoxyethanol 274.01
    2,2,2-trifluoroethanol 236.91
    methyl butyrate 610.48

    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