Ethane;4-ethenylbenzaldehyde

  • Identifiers

    Molecular formula
    C11H14O

    SMILES
    CC.C=CC1=CC=C(C=C1)C=O

  • Odor profile

    Fragrance
    Ethereal 70.08%
    Gassy 45.34%
    Solvent 42.18%
    Alcoholic 39.43%
    Sweet 35.77%
    Musty 29.43%
    Fermented 25.6%
    Camphoreous 24.1%
    Pungent 23.84%
    Fresh 22.6%

     

    Flavor
    Ethereal 41.54%
    Gasoline 40.48%
    Fruity 33.53%
    Fishy 29.13%
    Pungent 28.41%
    Alkane 27.44%
    Nutty 26.94%
    Sulfur 26.73%
    Rotten 26.41%
    Earthy 25.18%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    11.06 (strong base)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    -82°C

    Flash point

    • -93.61 ˚C est.

  • Applications

    4-ethenylbenzaldehyde is mainly used as an organic synthesis intermediate and as a reactive monomer for specialty polymers and coatings. It serves as a building block for fragrance and dye precursors, and is considered as an intermediate for pharmaceutical and agrochemical applications. In addition, it can be used as a fragrance intermediate in perfumery. In plastics and resin formulations, it can act as a functional monomer or aldehyde site to enable crosslinking and UV-curable systems. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 637.11
    methanol 550.85
    isopropanol 493.58
    water 0.17
    ethyl acetate 423.41
    n-propanol 613.68
    acetone 677.86
    n-butanol 642.97
    acetonitrile 574.03
    DMF 543.03
    toluene 172.04
    isobutanol 405.25
    1,4-dioxane 565.91
    methyl acetate 360.91
    THF 1126.9
    2-butanone 473.91
    n-pentanol 328.83
    sec-butanol 454.91
    n-hexane 279.24
    ethylene glycol 107.55
    NMP 555.93
    cyclohexane 428.4
    DMSO 783.45
    n-butyl acetate 960.66
    n-octanol 201.74
    chloroform 1269.67
    n-propyl acetate 297.15
    acetic acid 685.54
    dichloromethane 1142.51
    cyclohexanone 786.15
    propylene glycol 145.75
    isopropyl acetate 209.18
    DMAc 215.22
    2-ethoxyethanol 240.3
    isopentanol 390.19
    n-heptane 466.11
    ethyl formate 383.46
    1,2-dichloroethane 764.17
    n-hexanol 644.43
    2-methoxyethanol 515.83
    isobutyl acetate 157.97
    tetrachloromethane 383.4
    n-pentyl acetate 290.31
    transcutol 572.94
    n-heptanol 234.33
    ethylbenzene 95.69
    MIBK 161.24
    2-propoxyethanol 479.3
    tert-butanol 497.44
    MTBE 282.8
    2-butoxyethanol 274.09
    propionic acid 473.49
    o-xylene 80.32
    formic acid 117.31
    diethyl ether 500.48
    m-xylene 82.43
    p-xylene 121.77
    chlorobenzene 384.98
    dimethyl carbonate 90.08
    n-octane 116.17
    formamide 173.53
    cyclopentanone 949.05
    2-pentanone 421.5
    anisole 155.87
    cyclopentyl methyl ether 427.12
    gamma-butyrolactone 1041.03
    1-methoxy-2-propanol 327.93
    pyridine 743.07
    3-pentanone 272.49
    furfural 733.35
    n-dodecane 48.69
    diethylene glycol 246.21
    diisopropyl ether 117.05
    tert-amyl alcohol 390.64
    acetylacetone 291.03
    n-hexadecane 53.74
    acetophenone 146.25
    methyl propionate 268.97
    isopentyl acetate 523.26
    trichloroethylene 1177.21
    n-nonanol 165.49
    cyclohexanol 503.66
    benzyl alcohol 150.78
    2-ethylhexanol 445.13
    isooctanol 171.6
    dipropyl ether 633.83
    1,2-dichlorobenzene 316.14
    ethyl lactate 104.6
    propylene carbonate 573.66
    n-methylformamide 398.65
    2-pentanol 375.75
    n-pentane 291.92
    1-propoxy-2-propanol 528.72
    1-methoxy-2-propyl acetate 289.5
    2-(2-methoxypropoxy) propanol 136.13
    mesitylene 53.24
    ε-caprolactone 596.35
    p-cymene 134.92
    epichlorohydrin 733.87
    1,1,1-trichloroethane 725.39
    2-aminoethanol 229.45
    morpholine-4-carbaldehyde 398.29
    sulfolane 1057.96
    2,2,4-trimethylpentane 59.68
    2-methyltetrahydrofuran 791.28
    n-hexyl acetate 317.37
    isooctane 48.08
    2-(2-butoxyethoxy)ethanol 241.26
    sec-butyl acetate 145.56
    tert-butyl acetate 175.86
    decalin 76.78
    glycerin 160.89
    diglyme 444.89
    acrylic acid 383.92
    isopropyl myristate 129.81
    n-butyric acid 808.81
    acetyl acetate 220.12
    di(2-ethylhexyl) phthalate 88.96
    ethyl propionate 212.73
    nitromethane 676.75
    1,2-diethoxyethane 413.52
    benzonitrile 352.36
    trioctyl phosphate 98.63
    1-bromopropane 737.78
    gamma-valerolactone 739.97
    n-decanol 122.45
    triethyl phosphate 134.86
    4-methyl-2-pentanol 143.04
    propionitrile 589.14
    vinylene carbonate 454.88
    1,1,2-trichlorotrifluoroethane 568.06
    DMS 146.52
    cumene 61.18
    2-octanol 169.38
    2-hexanone 296.98
    octyl acetate 165.95
    limonene 267.56
    1,2-dimethoxyethane 447.98
    ethyl orthosilicate 136.5
    tributyl phosphate 133.37
    diacetone alcohol 207.89
    N,N-dimethylaniline 91.32
    acrylonitrile 619.02
    aniline 265.68
    1,3-propanediol 374.11
    bromobenzene 401.65
    dibromomethane 1014.68
    1,1,2,2-tetrachloroethane 881.54
    2-methyl-cyclohexyl acetate 240.96
    tetrabutyl urea 163.15
    diisobutyl methanol 214.44
    2-phenylethanol 234.89
    styrene 146.67
    dioctyl adipate 163.5
    dimethyl sulfate 130.03
    ethyl butyrate 499.2
    methyl lactate 126.08
    butyl lactate 208.41
    diethyl carbonate 260.67
    propanediol butyl ether 203.2
    triethyl orthoformate 285.24
    p-tert-butyltoluene 128.73
    methyl 4-tert-butylbenzoate 124.99
    morpholine 735.89
    tert-butylamine 415.96
    n-dodecanol 99.02
    dimethoxymethane 283.02
    ethylene carbonate 389.33
    cyrene 119.33
    2-ethoxyethyl acetate 231.53
    2-ethylhexyl acetate 451.57
    1,2,4-trichlorobenzene 325.62
    4-methylpyridine 540.97
    dibutyl ether 404.18
    2,6-dimethyl-4-heptanol 214.44
    DEF 383.51
    dimethyl isosorbide 276.57
    tetrachloroethylene 687.47
    eugenol 141.53
    triacetin 155.93
    span 80 219.43
    1,4-butanediol 117.87
    1,1-dichloroethane 731.96
    2-methyl-1-pentanol 212.85
    methyl formate 276.84
    2-methyl-1-butanol 378.15
    n-decane 89.76
    butyronitrile 713.46
    3,7-dimethyl-1-octanol 206.12
    1-chlorooctane 201.18
    1-chlorotetradecane 78.07
    n-nonane 112.16
    undecane 62.55
    tert-butylcyclohexane 71.25
    cyclooctane 119.61
    cyclopentanol 607.64
    tetrahydropyran 857.62
    tert-amyl methyl ether 197.26
    2,5,8-trioxanonane 247.56
    1-hexene 488.17
    2-isopropoxyethanol 149.66
    2,2,2-trifluoroethanol 148.0
    methyl butyrate 350.91

    Scent© AI

1 of 3
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