1-Phenylethenyl acetate

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  • Identifiers

    CAS number
    2206-94-2

    Molecular formula
    C10H10O2

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

  • Odor profile

    Fragrance
    Floral 67.8%
    Phenolic 49.38%
    Balsamic 45.94%
    Animal 37.13%
    Honey 35.77%
    Fruity 35.23%
    Grape 33.31%
    Aromatic 30.73%
    Odorless 29.34%
    Sweet 28.47%

     

    Flavor
    Sweet 82.79%
    Floral 59.81%
    Balsam 41.38%
    Honey 41.36%
    Powdery 41.32%
    Fruity 39.41%
    Cherry 31.92%
    Tobacco 30.47%
    Balsamic 30.02%
    Jam 30.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.25 (neutral)

    Molecular weight
    162.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point

    • 104.56 ˚C est.

  • Synonyms

    • 1-Phenylethenyl acetate
    • 1-Phenylvinyl acetate
    • 2206-94-2
    • alpha-Acetoxystyrene
    • .alpha.-Acetoxystyrene
    • Acetic acid 1-phenyl-vinyl ester
    • alpha-Methylenebenzyl acetate
    • NSC-19194
    • 1CC5K86844
    • Ethenol, 1-phenyl-, acetate
    • .ALPHA.-ACETYLOXYSTYRENE
    • Benzenemethanol, .alpha.-methylene-, acetate
    • DTXSID0051865
    • UNII-1CC5K86844
    • 1-ACETOXY-1-PHENYLETHENE
    • EINECS 218-620-7
    • NSC 19194
    • Benzenemethanol, alpha-methylene-, acetate
    • Benzyl alcohol, alpha-methylene-, acetate
    • Benzenemethanol, alpha-methylene-, 1-acetate
    • Benzyl alcohol, .alpha.-methylene-, acetate
    • EC 218-620-7
    • Benzenemethanol, .alpha.-methylene-, 1-acetate
    • Ethenol, acetate
    • ALPHA-ACETYLOXYSTYRENE
    • SCHEMBL280538
    • DTXCID3030424
    • NSC19194
    • HS-6221
    • NS00004775
    • 218-620-7
    • Indocolore

  • Applications

    1-Phenylethenyl acetate (CAS 2206-94-2) is primarily used as a chemical intermediate in organic synthesis, enabling preparation of phenyl-substituted vinyl ester derivatives for specialty polymers. In perfumery and cosmetics, it can act as an odorant or fragrance intermediate, contributing floral notes in formulations. In household products and cleaners, it may be employed as a fragrance ingredient or as a reactive precursor in fragrance systems. In coatings, inks, and adhesives, it serves as a monomer-facing precursor or functional intermediate for specialty polymers. In industrial manufacturing, it is used as a feedstock for the synthesis of further aromatic vinyl esters and related compounds, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 194.66
    methanol 282.66
    isopropanol 138.44
    water 1.38
    ethyl acetate 174.92
    n-propanol 142.35
    acetone 303.96
    n-butanol 128.82
    acetonitrile 207.69
    DMF 761.17
    toluene 73.06
    isobutanol 108.42
    1,4-dioxane 405.14
    methyl acetate 213.03
    THF 462.54
    2-butanone 207.3
    n-pentanol 100.82
    sec-butanol 122.89
    n-hexane 19.47
    ethylene glycol 85.56
    NMP 597.07
    cyclohexane 17.54
    DMSO 682.79
    n-butyl acetate 108.21
    n-octanol 69.87
    chloroform 406.24
    n-propyl acetate 101.47
    acetic acid 191.49
    dichloromethane 396.76
    cyclohexanone 280.87
    propylene glycol 79.94
    isopropyl acetate 94.16
    DMAc 660.07
    2-ethoxyethanol 171.31
    isopentanol 113.04
    n-heptane 10.61
    ethyl formate 125.52
    1,2-dichloroethane 243.64
    n-hexanol 98.86
    2-methoxyethanol 326.42
    isobutyl acetate 68.76
    tetrachloromethane 30.93
    n-pentyl acetate 72.27
    transcutol 572.21
    n-heptanol 44.75
    ethylbenzene 63.17
    MIBK 105.41
    2-propoxyethanol 198.66
    tert-butanol 178.49
    MTBE 142.2
    2-butoxyethanol 93.35
    propionic acid 151.5
    o-xylene 62.42
    formic acid 80.78
    diethyl ether 165.19
    m-xylene 61.3
    p-xylene 73.91
    chlorobenzene 122.42
    dimethyl carbonate 120.93
    n-octane 6.18
    formamide 141.06
    cyclopentanone 367.12
    2-pentanone 163.48
    anisole 166.23
    cyclopentyl methyl ether 183.82
    gamma-butyrolactone 419.32
    1-methoxy-2-propanol 235.82
    pyridine 204.86
    3-pentanone 144.15
    furfural 326.75
    n-dodecane 7.88
    diethylene glycol 183.51
    diisopropyl ether 42.96
    tert-amyl alcohol 147.88
    acetylacetone 220.17
    n-hexadecane 8.71
    acetophenone 134.78
    methyl propionate 186.31
    isopentyl acetate 98.65
    trichloroethylene 414.32
    n-nonanol 61.03
    cyclohexanol 121.25
    benzyl alcohol 109.54
    2-ethylhexanol 63.87
    isooctanol 39.74
    dipropyl ether 76.79
    1,2-dichlorobenzene 118.73
    ethyl lactate 75.69
    propylene carbonate 208.86
    n-methylformamide 242.99
    2-pentanol 81.61
    n-pentane 11.89
    1-propoxy-2-propanol 121.83
    1-methoxy-2-propyl acetate 135.24
    2-(2-methoxypropoxy) propanol 145.39
    mesitylene 39.86
    ε-caprolactone 227.06
    p-cymene 36.38
    epichlorohydrin 391.07
    1,1,1-trichloroethane 168.54
    2-aminoethanol 116.7
    morpholine-4-carbaldehyde 455.44
    sulfolane 482.4
    2,2,4-trimethylpentane 9.91
    2-methyltetrahydrofuran 282.38
    n-hexyl acetate 130.91
    isooctane 6.63
    2-(2-butoxyethoxy)ethanol 183.4
    sec-butyl acetate 72.47
    tert-butyl acetate 114.99
    decalin 18.94
    glycerin 125.23
    diglyme 313.54
    acrylic acid 142.73
    isopropyl myristate 57.52
    n-butyric acid 151.3
    acetyl acetate 120.39
    di(2-ethylhexyl) phthalate 60.62
    ethyl propionate 109.4
    nitromethane 381.4
    1,2-diethoxyethane 155.05
    benzonitrile 134.98
    trioctyl phosphate 41.03
    1-bromopropane 135.45
    gamma-valerolactone 409.04
    n-decanol 47.22
    triethyl phosphate 61.3
    4-methyl-2-pentanol 52.6
    propionitrile 146.5
    vinylene carbonate 193.32
    1,1,2-trichlorotrifluoroethane 217.83
    DMS 144.73
    cumene 46.88
    2-octanol 37.77
    2-hexanone 117.73
    octyl acetate 73.05
    limonene 53.68
    1,2-dimethoxyethane 334.44
    ethyl orthosilicate 58.09
    tributyl phosphate 54.46
    diacetone alcohol 152.4
    N,N-dimethylaniline 118.77
    acrylonitrile 189.7
    aniline 113.24
    1,3-propanediol 142.61
    bromobenzene 118.82
    dibromomethane 241.07
    1,1,2,2-tetrachloroethane 317.13
    2-methyl-cyclohexyl acetate 89.2
    tetrabutyl urea 80.72
    diisobutyl methanol 38.93
    2-phenylethanol 100.7
    styrene 77.68
    dioctyl adipate 83.68
    dimethyl sulfate 214.37
    ethyl butyrate 91.54
    methyl lactate 112.48
    butyl lactate 66.35
    diethyl carbonate 77.66
    propanediol butyl ether 118.81
    triethyl orthoformate 69.19
    p-tert-butyltoluene 36.27
    methyl 4-tert-butylbenzoate 120.13
    morpholine 379.81
    tert-butylamine 99.44
    n-dodecanol 37.98
    dimethoxymethane 333.48
    ethylene carbonate 157.54
    cyrene 142.43
    2-ethoxyethyl acetate 112.53
    2-ethylhexyl acetate 79.09
    1,2,4-trichlorobenzene 142.59
    4-methylpyridine 226.58
    dibutyl ether 84.58
    2,6-dimethyl-4-heptanol 38.93
    DEF 228.49
    dimethyl isosorbide 216.35
    tetrachloroethylene 164.6
    eugenol 122.66
    triacetin 134.79
    span 80 110.76
    1,4-butanediol 67.64
    1,1-dichloroethane 204.8
    2-methyl-1-pentanol 95.25
    methyl formate 197.06
    2-methyl-1-butanol 109.93
    n-decane 11.41
    butyronitrile 139.7
    3,7-dimethyl-1-octanol 64.3
    1-chlorooctane 49.6
    1-chlorotetradecane 23.55
    n-nonane 10.84
    undecane 9.29
    tert-butylcyclohexane 18.59
    cyclooctane 6.19
    cyclopentanol 138.11
    tetrahydropyran 272.96
    tert-amyl methyl ether 116.73
    2,5,8-trioxanonane 235.5
    1-hexene 70.59
    2-isopropoxyethanol 117.64
    2,2,2-trifluoroethanol 75.41
    methyl butyrate 139.15

    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