1-Cyclohexene-1-carboxaldehyde, 2-ethenyl-

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  • Identifiers

    CAS number
    21403-37-2

    Molecular formula
    C9H12O

    SMILES
    C=CC1=C(CCCC1)C=O

  • Odor profile

    Fragrance
    Green 84.22%
    Fruity 80.69%
    Herbal 40.04%
    Spicy 33.79%
    Fatty 32.2%
    Aldehydic 31.21%
    Fresh 28.84%
    Grassy 28.38%
    Pungent 28.29%
    Leafy 27.99%

     

    Flavor
    Sweet 42.84%
    Spice 40.08%
    Spicy 38.48%
    Cinnamon 38.44%
    Fatty 36.51%
    Cherry 36.14%
    Oily 31.53%
    Herbal 30.74%
    Mint 29.45%
    Fat 29.26%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.87 (neutral)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point

    • 78.39 ˚C est.

  • Synonyms

    • 1-Cyclohexene-1-carboxaldehyde, 2-ethenyl-
    • 21403-37-2
    • DTXSID30463987
    • DTXCID60414806

  • Applications

    1-Cyclohexene-1-carboxaldehyde, 2-ethenyl- (CAS 21403-37-2) is primarily used as a reactive intermediate and monomer in polymer and coating applications. Its vinyl group enables copolymerization to yield specialty polymers for coatings and adhesives, and it can function as a crosslinkable component in UV-curable formulations. The aldehyde functionality also allows selective transformations to build fragrance ingredients and other fine chemicals, making it a useful intermediate in perfumery and cosmetics supply chains. In broader industrial manufacturing, it is often employed as a building block for synthesis of aldehyde-containing intermediates used in pharmaceutical, agrochemical, or other fine-chemical routes, subject to relevant regulations. The combination of vinyl and aldehyde functionality supports research and development of advanced materials and specialty resins.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 299.84
    methanol 340.38
    isopropanol 222.15
    water 0.71
    ethyl acetate 462.72
    n-propanol 297.2
    acetone 604.25
    n-butanol 246.9
    acetonitrile 542.8
    DMF 874.34
    toluene 324.34
    isobutanol 186.94
    1,4-dioxane 1085.09
    methyl acetate 512.43
    THF 932.95
    2-butanone 539.11
    n-pentanol 162.89
    sec-butanol 170.23
    n-hexane 48.28
    ethylene glycol 62.94
    NMP 748.77
    cyclohexane 80.23
    DMSO 868.23
    n-butyl acetate 345.58
    n-octanol 120.9
    chloroform 1375.27
    n-propyl acetate 327.56
    acetic acid 255.01
    dichloromethane 1367.67
    cyclohexanone 826.48
    propylene glycol 63.38
    isopropyl acetate 266.94
    DMAc 381.99
    2-ethoxyethanol 240.49
    isopentanol 187.43
    n-heptane 35.84
    ethyl formate 300.72
    1,2-dichloroethane 967.5
    n-hexanol 248.43
    2-methoxyethanol 412.24
    isobutyl acetate 182.36
    tetrachloromethane 225.07
    n-pentyl acetate 211.9
    transcutol 1081.78
    n-heptanol 121.3
    ethylbenzene 161.28
    MIBK 237.78
    2-propoxyethanol 382.97
    tert-butanol 232.86
    MTBE 265.87
    2-butoxyethanol 219.71
    propionic acid 313.6
    o-xylene 171.48
    formic acid 86.22
    diethyl ether 428.49
    m-xylene 194.84
    p-xylene 187.23
    chlorobenzene 517.19
    dimethyl carbonate 171.08
    n-octane 20.57
    formamide 163.21
    cyclopentanone 963.34
    2-pentanone 416.75
    anisole 294.8
    cyclopentyl methyl ether 434.81
    gamma-butyrolactone 1067.78
    1-methoxy-2-propanol 320.67
    pyridine 892.19
    3-pentanone 322.83
    furfural 760.37
    n-dodecane 16.57
    diethylene glycol 259.97
    diisopropyl ether 115.98
    tert-amyl alcohol 168.89
    acetylacetone 449.13
    n-hexadecane 19.65
    acetophenone 260.26
    methyl propionate 356.48
    isopentyl acetate 276.23
    trichloroethylene 1533.82
    n-nonanol 109.47
    cyclohexanol 241.58
    benzyl alcohol 197.23
    2-ethylhexanol 143.59
    isooctanol 104.35
    dipropyl ether 201.99
    1,2-dichlorobenzene 408.27
    ethyl lactate 122.52
    propylene carbonate 482.99
    n-methylformamide 436.38
    2-pentanol 154.73
    n-pentane 40.82
    1-propoxy-2-propanol 258.8
    1-methoxy-2-propyl acetate 290.1
    2-(2-methoxypropoxy) propanol 205.73
    mesitylene 131.49
    ε-caprolactone 608.92
    p-cymene 88.97
    epichlorohydrin 1058.83
    1,1,1-trichloroethane 794.81
    2-aminoethanol 127.96
    morpholine-4-carbaldehyde 701.21
    sulfolane 1105.23
    2,2,4-trimethylpentane 20.56
    2-methyltetrahydrofuran 626.54
    n-hexyl acetate 286.9
    isooctane 23.28
    2-(2-butoxyethoxy)ethanol 318.64
    sec-butyl acetate 191.27
    tert-butyl acetate 258.82
    decalin 44.77
    glycerin 107.45
    diglyme 598.03
    acrylic acid 267.53
    isopropyl myristate 115.43
    n-butyric acid 366.76
    acetyl acetate 257.32
    di(2-ethylhexyl) phthalate 93.99
    ethyl propionate 258.91
    nitromethane 726.66
    1,2-diethoxyethane 376.2
    benzonitrile 375.33
    trioctyl phosphate 74.03
    1-bromopropane 528.85
    gamma-valerolactone 980.93
    n-decanol 85.04
    triethyl phosphate 103.49
    4-methyl-2-pentanol 97.87
    propionitrile 456.53
    vinylene carbonate 452.45
    1,1,2-trichlorotrifluoroethane 455.67
    DMS 262.0
    cumene 99.35
    2-octanol 87.75
    2-hexanone 305.48
    octyl acetate 138.84
    limonene 124.58
    1,2-dimethoxyethane 530.89
    ethyl orthosilicate 101.33
    tributyl phosphate 91.74
    diacetone alcohol 263.97
    N,N-dimethylaniline 167.15
    acrylonitrile 566.34
    aniline 307.34
    1,3-propanediol 207.4
    bromobenzene 561.65
    dibromomethane 867.85
    1,1,2,2-tetrachloroethane 1003.87
    2-methyl-cyclohexyl acetate 163.71
    tetrabutyl urea 121.96
    diisobutyl methanol 96.01
    2-phenylethanol 221.5
    styrene 219.75
    dioctyl adipate 145.55
    dimethyl sulfate 270.72
    ethyl butyrate 236.83
    methyl lactate 156.79
    butyl lactate 144.18
    diethyl carbonate 156.53
    propanediol butyl ether 180.43
    triethyl orthoformate 147.31
    p-tert-butyltoluene 86.12
    methyl 4-tert-butylbenzoate 207.24
    morpholine 954.33
    tert-butylamine 152.11
    n-dodecanol 67.66
    dimethoxymethane 457.96
    ethylene carbonate 371.4
    cyrene 181.48
    2-ethoxyethyl acetate 269.2
    2-ethylhexyl acetate 213.11
    1,2,4-trichlorobenzene 442.65
    4-methylpyridine 670.56
    dibutyl ether 184.78
    2,6-dimethyl-4-heptanol 96.01
    DEF 453.34
    dimethyl isosorbide 361.74
    tetrachloroethylene 676.8
    eugenol 205.52
    triacetin 217.58
    span 80 174.86
    1,4-butanediol 76.66
    1,1-dichloroethane 896.28
    2-methyl-1-pentanol 135.98
    methyl formate 335.43
    2-methyl-1-butanol 160.74
    n-decane 27.18
    butyronitrile 383.61
    3,7-dimethyl-1-octanol 118.14
    1-chlorooctane 118.33
    1-chlorotetradecane 47.59
    n-nonane 26.97
    undecane 20.81
    tert-butylcyclohexane 39.96
    cyclooctane 29.44
    cyclopentanol 287.47
    tetrahydropyran 799.37
    tert-amyl methyl ether 179.27
    2,5,8-trioxanonane 361.99
    1-hexene 163.66
    2-isopropoxyethanol 187.17
    2,2,2-trifluoroethanol 114.25
    methyl butyrate 365.87

    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