Ethenyl 4-methoxybenzoate

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  • Identifiers

    CAS number
    13351-86-5

    Molecular formula
    C10H10O3

    SMILES
    COC1=CC=C(C=C1)C(=O)OC=C

    Safety labels

  • Odor profile

    Fragrance
    Floral 52.77%
    Fruity 46.94%
    Sweet 46.25%
    Phenolic 36.53%
    Herbal 36.26%
    Spicy 35.11%
    Anisic 34.37%
    Cherry 33.82%
    Aromatic 33.27%
    Balsamic 32.02%

     

    Flavor
    Sweet 52.61%
    Balsam 42.17%
    Fruity 41.52%
    Powdery 35.47%
    Wintergreen 32.79%
    Floral 32.18%
    Grape 31.0%
    Strawberry 30.17%
    Faint 29.11%
    Balsamic 28.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.29 (neutral)

    Molecular weight
    178.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    280°C

    Flash point

    • 109.24 ˚C est.

  • Synonyms

    • Ethenyl 4-methoxybenzoate
    • 13351-86-5
    • DTXSID30571435
    • RefChem:341480
    • DTXCID50522207
    • vinyl anisate
    • SCHEMBL1579882
    • 13351-86-5

  • Applications

    Ethenyl 4-methoxybenzoate (CAS 13351-86-5) is primarily used as an organic synthesis intermediate and as a fragrance ingredient in commercial formulations. In perfumery and cosmetics, it serves as a component with an anisyl-characteristic aroma to enrich fragrance recipes and personal care products. As a vinyl ester, it may function as a monomer or precursor for specialty polymers and vinyl ester resins used in coatings and adhesives, enabling improved film-forming properties and chemical resistance. In coatings/inks, it can participate as a reactive monomer to produce coatings with added performance characteristics. Additionally, it may be used as an intermediate in synthesizing anisyl derivatives to develop more complex aroma compounds, and can serve as a fragrance constituent in household products and cleaning formulations, subject to local regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.94
    methanol 34.59
    isopropanol 24.34
    water 0.07
    ethyl acetate 133.64
    n-propanol 27.85
    acetone 259.62
    n-butanol 28.06
    acetonitrile 156.31
    DMF 367.24
    toluene 50.24
    isobutanol 20.34
    1,4-dioxane 188.34
    methyl acetate 155.43
    THF 363.61
    2-butanone 186.08
    n-pentanol 34.75
    sec-butanol 33.75
    n-hexane 6.57
    ethylene glycol 12.74
    NMP 475.28
    cyclohexane 6.86
    DMSO 896.35
    n-butyl acetate 129.95
    n-octanol 15.48
    chloroform 307.37
    n-propyl acetate 123.06
    acetic acid 116.68
    dichloromethane 468.95
    cyclohexanone 216.22
    propylene glycol 15.62
    isopropyl acetate 81.84
    DMAc 410.89
    2-ethoxyethanol 126.17
    isopentanol 32.57
    n-heptane 3.66
    ethyl formate 85.52
    1,2-dichloroethane 355.56
    n-hexanol 30.98
    2-methoxyethanol 131.89
    isobutyl acetate 56.39
    tetrachloromethane 27.28
    n-pentyl acetate 50.71
    transcutol 736.82
    n-heptanol 14.2
    ethylbenzene 46.15
    MIBK 77.44
    2-propoxyethanol 101.69
    tert-butanol 56.71
    MTBE 87.85
    2-butoxyethanol 53.88
    propionic acid 65.9
    o-xylene 47.08
    formic acid 51.23
    diethyl ether 99.58
    m-xylene 37.01
    p-xylene 54.97
    chlorobenzene 125.86
    dimethyl carbonate 93.45
    n-octane 1.32
    formamide 178.67
    cyclopentanone 342.05
    2-pentanone 126.59
    anisole 169.65
    cyclopentyl methyl ether 129.31
    gamma-butyrolactone 423.25
    1-methoxy-2-propanol 99.89
    pyridine 207.24
    3-pentanone 126.74
    furfural 376.82
    n-dodecane 1.26
    diethylene glycol 86.79
    diisopropyl ether 30.39
    tert-amyl alcohol 65.56
    acetylacetone 215.87
    n-hexadecane 1.58
    acetophenone 169.04
    methyl propionate 125.81
    isopentyl acetate 100.34
    trichloroethylene 611.65
    n-nonanol 15.94
    cyclohexanol 37.89
    benzyl alcohol 87.5
    2-ethylhexanol 28.78
    isooctanol 14.11
    dipropyl ether 52.15
    1,2-dichlorobenzene 135.93
    ethyl lactate 60.06
    propylene carbonate 177.6
    n-methylformamide 148.8
    2-pentanol 26.21
    n-pentane 3.64
    1-propoxy-2-propanol 78.91
    1-methoxy-2-propyl acetate 145.21
    2-(2-methoxypropoxy) propanol 125.84
    mesitylene 26.52
    ε-caprolactone 186.65
    p-cymene 26.46
    epichlorohydrin 508.1
    1,1,1-trichloroethane 183.92
    2-aminoethanol 24.41
    morpholine-4-carbaldehyde 367.21
    sulfolane 653.06
    2,2,4-trimethylpentane 4.61
    2-methyltetrahydrofuran 215.64
    n-hexyl acetate 72.39
    isooctane 2.79
    2-(2-butoxyethoxy)ethanol 135.37
    sec-butyl acetate 75.72
    tert-butyl acetate 115.3
    decalin 8.44
    glycerin 40.35
    diglyme 332.76
    acrylic acid 84.41
    isopropyl myristate 31.93
    n-butyric acid 67.94
    acetyl acetate 109.74
    di(2-ethylhexyl) phthalate 36.04
    ethyl propionate 114.87
    nitromethane 451.0
    1,2-diethoxyethane 177.47
    benzonitrile 117.71
    trioctyl phosphate 21.22
    1-bromopropane 108.64
    gamma-valerolactone 350.16
    n-decanol 12.35
    triethyl phosphate 64.83
    4-methyl-2-pentanol 19.5
    propionitrile 86.14
    vinylene carbonate 159.18
    1,1,2-trichlorotrifluoroethane 272.77
    DMS 137.0
    cumene 31.16
    2-octanol 10.97
    2-hexanone 127.74
    octyl acetate 38.21
    limonene 38.43
    1,2-dimethoxyethane 268.44
    ethyl orthosilicate 54.26
    tributyl phosphate 37.45
    diacetone alcohol 119.41
    N,N-dimethylaniline 103.5
    acrylonitrile 145.38
    aniline 82.47
    1,3-propanediol 38.14
    bromobenzene 133.29
    dibromomethane 259.44
    1,1,2,2-tetrachloroethane 414.67
    2-methyl-cyclohexyl acetate 84.53
    tetrabutyl urea 52.33
    diisobutyl methanol 20.25
    2-phenylethanol 71.73
    styrene 68.73
    dioctyl adipate 66.11
    dimethyl sulfate 236.81
    ethyl butyrate 102.63
    methyl lactate 70.98
    butyl lactate 49.87
    diethyl carbonate 84.69
    propanediol butyl ether 55.08
    triethyl orthoformate 76.61
    p-tert-butyltoluene 25.34
    methyl 4-tert-butylbenzoate 92.77
    morpholine 213.77
    tert-butylamine 31.84
    n-dodecanol 9.79
    dimethoxymethane 191.58
    ethylene carbonate 113.44
    cyrene 128.62
    2-ethoxyethyl acetate 113.02
    2-ethylhexyl acetate 84.11
    1,2,4-trichlorobenzene 172.64
    4-methylpyridine 183.28
    dibutyl ether 42.99
    2,6-dimethyl-4-heptanol 20.25
    DEF 182.08
    dimethyl isosorbide 227.53
    tetrachloroethylene 216.03
    eugenol 93.16
    triacetin 129.26
    span 80 69.59
    1,4-butanediol 21.01
    1,1-dichloroethane 194.74
    2-methyl-1-pentanol 42.4
    methyl formate 131.17
    2-methyl-1-butanol 31.65
    n-decane 2.15
    butyronitrile 73.14
    3,7-dimethyl-1-octanol 25.19
    1-chlorooctane 14.64
    1-chlorotetradecane 6.6
    n-nonane 1.89
    undecane 1.59
    tert-butylcyclohexane 7.16
    cyclooctane 2.63
    cyclopentanol 44.78
    tetrahydropyran 140.96
    tert-amyl methyl ether 81.07
    2,5,8-trioxanonane 230.82
    1-hexene 30.8
    2-isopropoxyethanol 87.42
    2,2,2-trifluoroethanol 60.01
    methyl butyrate 141.15

    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