Benzenemethanol, alpha-ethenyl-, 1-acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    7217-71-2

    Molecular formula
    C11H12O2

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

  • Odor profile

    Fragrance
    Floral 70.51%
    Fruity 70.3%
    Balsamic 60.5%
    Sweet 59.43%
    Spicy 47.28%
    Green 40.25%
    Herbal 35.94%
    Cherry 35.52%
    Woody 32.46%
    Berry 29.61%

     

    Flavor
    Sweet 78.32%
    Fruity 66.08%
    Floral 59.45%
    Powdery 33.61%
    Balsam 32.67%
    Honey 29.17%
    Cherry 28.82%
    Grape 27.93%
    Spicy 27.73%
    Berry 26.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.77 (neutral)

    Molecular weight
    176.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    233°C

    Flash point

    • 110.45 ˚C est.

  • Synonyms

    • 1-Phenylallyl acetate
    • 1'-Acetoxyallylbenzene
    • 1-Phenyl-2-propenyl acetate
    • 7217-71-2
    • alpha-Vinylbenzyl alcohol acetate
    • EINECS 230-606-2
    • Benzyl alcohol, alpha-vinyl-, acetate
    • BRN 2045923
    • Benzenemethanol, alpha-ethenyl-, acetate
    • Benzenemethanol, alpha-ethenyl-, 1-acetate
    • DTXSID60884363
    • 4-06-00-03819 (Beilstein Handbook Reference)
    • Benzenemethanol, .alpha.-ethenyl-, 1-acetate
    • alpha-Vinylbenzyl acetate
    • phenylallyl acetate
    • vinylbenzyl acetate
    • Benzenemethanol, .alpha.-ethenyl-, acetate
    • SCHEMBL61038
    • DTXCID501023808
    • AKOS015966908
    • NS00043716
    • Benzyl alcohol, alpha-vinyl-, acetate (8CI)

  • Applications

    Benzenemethanol, alpha-ethenyl-, 1-acetate is a useful building block in organic synthesis, enabling the introduction of vinyl and acetate ester functionality into molecular frameworks. In practice, it is used as a precursor or starting material for fragrance-related compounds and other synthetic intermediates; it may also serve as a monomer or functional component in polymer and coating formulations, inks, and adhesives that benefit from vinyl/ester functionality. It can be employed as a solvent or co-solvent in industrial formulations and surface-treatment processes. Applications in cosmetics and personal care may be considered as a fragrance-related ingredient or carrier, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 269.56
    methanol 379.24
    isopropanol 195.91
    water 0.83
    ethyl acetate 220.17
    n-propanol 208.33
    acetone 385.22
    n-butanol 192.93
    acetonitrile 247.52
    DMF 801.84
    toluene 125.51
    isobutanol 168.39
    1,4-dioxane 449.47
    methyl acetate 287.27
    THF 514.81
    2-butanone 328.84
    n-pentanol 171.26
    sec-butanol 190.93
    n-hexane 28.78
    ethylene glycol 105.87
    NMP 571.24
    cyclohexane 33.14
    DMSO 819.45
    n-butyl acetate 190.35
    n-octanol 116.23
    chloroform 759.75
    n-propyl acetate 161.92
    acetic acid 201.05
    dichloromethane 757.94
    cyclohexanone 393.19
    propylene glycol 116.88
    isopropyl acetate 124.03
    DMAc 719.98
    2-ethoxyethanol 231.67
    isopentanol 168.62
    n-heptane 19.09
    ethyl formate 184.6
    1,2-dichloroethane 453.89
    n-hexanol 174.91
    2-methoxyethanol 343.09
    isobutyl acetate 112.61
    tetrachloromethane 63.28
    n-pentyl acetate 111.08
    transcutol 641.35
    n-heptanol 82.15
    ethylbenzene 114.02
    MIBK 149.52
    2-propoxyethanol 261.17
    tert-butanol 257.47
    MTBE 215.21
    2-butoxyethanol 140.51
    propionic acid 202.8
    o-xylene 110.8
    formic acid 69.31
    diethyl ether 217.99
    m-xylene 106.98
    p-xylene 125.48
    chlorobenzene 199.28
    dimethyl carbonate 132.52
    n-octane 12.61
    formamide 128.03
    cyclopentanone 466.88
    2-pentanone 226.12
    anisole 237.22
    cyclopentyl methyl ether 220.53
    gamma-butyrolactone 477.83
    1-methoxy-2-propanol 258.6
    pyridine 291.42
    3-pentanone 203.28
    furfural 406.06
    n-dodecane 14.37
    diethylene glycol 228.32
    diisopropyl ether 61.44
    tert-amyl alcohol 224.16
    acetylacetone 250.56
    n-hexadecane 16.02
    acetophenone 207.67
    methyl propionate 221.41
    isopentyl acetate 160.39
    trichloroethylene 745.24
    n-nonanol 97.79
    cyclohexanol 174.35
    benzyl alcohol 165.98
    2-ethylhexanol 109.57
    isooctanol 73.65
    dipropyl ether 119.65
    1,2-dichlorobenzene 196.56
    ethyl lactate 111.02
    propylene carbonate 279.41
    n-methylformamide 263.28
    2-pentanol 132.81
    n-pentane 20.02
    1-propoxy-2-propanol 175.93
    1-methoxy-2-propyl acetate 178.9
    2-(2-methoxypropoxy) propanol 186.67
    mesitylene 68.52
    ε-caprolactone 295.41
    p-cymene 64.89
    epichlorohydrin 527.34
    1,1,1-trichloroethane 305.25
    2-aminoethanol 148.71
    morpholine-4-carbaldehyde 446.62
    sulfolane 603.5
    2,2,4-trimethylpentane 17.24
    2-methyltetrahydrofuran 341.1
    n-hexyl acetate 193.66
    isooctane 12.72
    2-(2-butoxyethoxy)ethanol 235.89
    sec-butyl acetate 115.83
    tert-butyl acetate 148.04
    decalin 32.22
    glycerin 153.86
    diglyme 387.1
    acrylic acid 175.27
    isopropyl myristate 84.78
    n-butyric acid 209.74
    acetyl acetate 144.25
    di(2-ethylhexyl) phthalate 85.96
    ethyl propionate 150.07
    nitromethane 365.64
    1,2-diethoxyethane 220.22
    benzonitrile 200.58
    trioctyl phosphate 63.49
    1-bromopropane 254.97
    gamma-valerolactone 454.15
    n-decanol 77.73
    triethyl phosphate 86.71
    4-methyl-2-pentanol 86.2
    propionitrile 208.06
    vinylene carbonate 263.67
    1,1,2-trichlorotrifluoroethane 299.59
    DMS 182.04
    cumene 80.26
    2-octanol 67.22
    2-hexanone 193.05
    octyl acetate 106.72
    limonene 91.01
    1,2-dimethoxyethane 412.81
    ethyl orthosilicate 81.67
    tributyl phosphate 78.38
    diacetone alcohol 189.81
    N,N-dimethylaniline 163.7
    acrylonitrile 261.26
    aniline 163.59
    1,3-propanediol 176.52
    bromobenzene 222.25
    dibromomethane 494.64
    1,1,2,2-tetrachloroethane 596.29
    2-methyl-cyclohexyl acetate 131.08
    tetrabutyl urea 111.54
    diisobutyl methanol 65.26
    2-phenylethanol 153.84
    styrene 143.42
    dioctyl adipate 118.21
    dimethyl sulfate 244.48
    ethyl butyrate 150.77
    methyl lactate 135.58
    butyl lactate 103.96
    diethyl carbonate 116.85
    propanediol butyl ether 173.12
    triethyl orthoformate 101.02
    p-tert-butyltoluene 61.27
    methyl 4-tert-butylbenzoate 166.85
    morpholine 418.67
    tert-butylamine 153.63
    n-dodecanol 63.2
    dimethoxymethane 342.66
    ethylene carbonate 206.44
    cyrene 185.54
    2-ethoxyethyl acetate 155.93
    2-ethylhexyl acetate 127.68
    1,2,4-trichlorobenzene 232.93
    4-methylpyridine 302.08
    dibutyl ether 137.38
    2,6-dimethyl-4-heptanol 65.26
    DEF 289.67
    dimethyl isosorbide 261.39
    tetrachloroethylene 328.08
    eugenol 170.96
    triacetin 178.05
    span 80 146.86
    1,4-butanediol 103.25
    1,1-dichloroethane 399.9
    2-methyl-1-pentanol 158.33
    methyl formate 240.44
    2-methyl-1-butanol 172.46
    n-decane 21.35
    butyronitrile 204.25
    3,7-dimethyl-1-octanol 106.33
    1-chlorooctane 87.84
    1-chlorotetradecane 40.43
    n-nonane 20.82
    undecane 17.15
    tert-butylcyclohexane 31.23
    cyclooctane 11.93
    cyclopentanol 186.54
    tetrahydropyran 339.23
    tert-amyl methyl ether 173.47
    2,5,8-trioxanonane 296.19
    1-hexene 119.86
    2-isopropoxyethanol 175.94
    2,2,2-trifluoroethanol 81.9
    methyl butyrate 211.07

    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