1-Propen-1-ol, 2-phenyl-, 1-acetate, (1E)-

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  • Identifiers

    CAS number
    37973-51-6

    Molecular formula
    C11H12O2

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

  • Odor profile

    Fragrance
    Sweet 82.54%
    Floral 81.46%
    Balsamic 50.7%
    Fruity 47.18%
    Spicy 46.24%
    Honey 43.03%
    Green 42.52%
    Powdery 40.49%
    Cherry 37.29%
    Cinnamon 36.45%

     

    Flavor
    Sweet 84.03%
    Floral 71.7%
    Balsam 44.82%
    Honey 40.71%
    Spicy 39.74%
    Woody 35.14%
    Powdery 34.56%
    Rose 33.84%
    Fruity 33.16%
    Raspberry 31.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.86 (neutral)

    Molecular weight
    176.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point

    • 119.18 ˚C est.

  • Synonyms

    • (E)-2-Phenylpropenyl acetate
    • 2-Phenyl-1(2)-propene-1-yl acetate
    • EINECS 253-735-6
    • 37973-51-6
    • DTXSID9052054
    • 1-Propen-1-ol, 2-phenyl-, acetate, (E)-
    • 1-Propen-1-ol, 2-phenyl-, 1-acetate, (1E)-
    • [(E)-2-phenylprop-1-enyl] acetate
    • SCHEMBL3506742
    • DTXCID4030621
    • CLCGEEANBAUENX-CMDGGOBGSA-N
    • AKOS004908020
    • NS00089021
    • 253-735-6

  • Applications

    1-Propen-1-ol, 2-phenyl-, 1-acetate, (1E-) (CAS 37973-51-6) is a vinyl ester used principally as an intermediate in organic synthesis and fragrance chemistry. In practical terms, it serves as a precursor for fragrance and flavor compounds in perfumery and cosmetics, as an intermediate in cosmetic and personal-care formulations, as a monomer or co-monomer for polymer, coating, and ink systems, and as a reactive diluent or linking component in adhesive formulations and industrial polymer synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 240.79
    methanol 285.17
    isopropanol 157.17
    water 0.49
    ethyl acetate 224.78
    n-propanol 162.84
    acetone 379.84
    n-butanol 135.46
    acetonitrile 243.52
    DMF 875.32
    toluene 88.62
    isobutanol 110.33
    1,4-dioxane 536.55
    methyl acetate 300.51
    THF 439.35
    2-butanone 311.17
    n-pentanol 113.04
    sec-butanol 138.89
    n-hexane 11.12
    ethylene glycol 78.69
    NMP 464.65
    cyclohexane 6.73
    DMSO 658.21
    n-butyl acetate 137.23
    n-octanol 50.78
    chloroform 720.65
    n-propyl acetate 128.76
    acetic acid 170.71
    dichloromethane 627.55
    cyclohexanone 291.31
    propylene glycol 109.29
    isopropyl acetate 115.82
    DMAc 791.94
    2-ethoxyethanol 235.66
    isopentanol 129.56
    n-heptane 4.7
    ethyl formate 123.07
    1,2-dichloroethane 401.98
    n-hexanol 106.31
    2-methoxyethanol 376.32
    isobutyl acetate 89.94
    tetrachloromethane 40.85
    n-pentyl acetate 69.84
    transcutol 775.81
    n-heptanol 43.93
    ethylbenzene 74.83
    MIBK 121.23
    2-propoxyethanol 220.2
    tert-butanol 220.78
    MTBE 187.88
    2-butoxyethanol 113.83
    propionic acid 158.84
    o-xylene 69.55
    formic acid 75.65
    diethyl ether 190.8
    m-xylene 62.07
    p-xylene 91.83
    chlorobenzene 144.02
    dimethyl carbonate 122.04
    n-octane 3.17
    formamide 151.66
    cyclopentanone 381.04
    2-pentanone 187.88
    anisole 224.16
    cyclopentyl methyl ether 168.87
    gamma-butyrolactone 415.39
    1-methoxy-2-propanol 261.93
    pyridine 297.59
    3-pentanone 163.1
    furfural 352.31
    n-dodecane 3.69
    diethylene glycol 196.99
    diisopropyl ether 41.69
    tert-amyl alcohol 174.5
    acetylacetone 248.05
    n-hexadecane 4.28
    acetophenone 172.27
    methyl propionate 217.23
    isopentyl acetate 130.78
    trichloroethylene 720.49
    n-nonanol 46.68
    cyclohexanol 98.5
    benzyl alcohol 143.32
    2-ethylhexanol 68.83
    isooctanol 39.39
    dipropyl ether 69.47
    1,2-dichlorobenzene 147.71
    ethyl lactate 78.38
    propylene carbonate 202.43
    n-methylformamide 252.59
    2-pentanol 82.81
    n-pentane 4.53
    1-propoxy-2-propanol 139.88
    1-methoxy-2-propyl acetate 159.28
    2-(2-methoxypropoxy) propanol 156.93
    mesitylene 38.17
    ε-caprolactone 237.64
    p-cymene 36.35
    epichlorohydrin 559.36
    1,1,1-trichloroethane 250.86
    2-aminoethanol 139.81
    morpholine-4-carbaldehyde 469.28
    sulfolane 451.85
    2,2,4-trimethylpentane 7.09
    2-methyltetrahydrofuran 300.49
    n-hexyl acetate 122.69
    isooctane 4.89
    2-(2-butoxyethoxy)ethanol 201.37
    sec-butyl acetate 99.57
    tert-butyl acetate 141.5
    decalin 13.92
    glycerin 150.11
    diglyme 375.98
    acrylic acid 143.39
    isopropyl myristate 49.94
    n-butyric acid 159.04
    acetyl acetate 132.84
    di(2-ethylhexyl) phthalate 56.95
    ethyl propionate 123.74
    nitromethane 398.45
    1,2-diethoxyethane 190.8
    benzonitrile 145.03
    trioctyl phosphate 35.22
    1-bromopropane 182.36
    gamma-valerolactone 474.07
    n-decanol 35.81
    triethyl phosphate 63.65
    4-methyl-2-pentanol 55.4
    propionitrile 168.09
    vinylene carbonate 195.42
    1,1,2-trichlorotrifluoroethane 311.65
    DMS 156.9
    cumene 52.56
    2-octanol 32.29
    2-hexanone 147.49
    octyl acetate 62.65
    limonene 50.0
    1,2-dimethoxyethane 393.05
    ethyl orthosilicate 60.96
    tributyl phosphate 49.92
    diacetone alcohol 184.25
    N,N-dimethylaniline 136.45
    acrylonitrile 227.92
    aniline 143.36
    1,3-propanediol 163.36
    bromobenzene 151.4
    dibromomethane 361.95
    1,1,2,2-tetrachloroethane 571.69
    2-methyl-cyclohexyl acetate 95.31
    tetrabutyl urea 67.6
    diisobutyl methanol 40.07
    2-phenylethanol 115.44
    styrene 100.47
    dioctyl adipate 77.68
    dimethyl sulfate 217.61
    ethyl butyrate 101.53
    methyl lactate 114.04
    butyl lactate 70.41
    diethyl carbonate 82.89
    propanediol butyl ether 116.2
    triethyl orthoformate 74.25
    p-tert-butyltoluene 36.89
    methyl 4-tert-butylbenzoate 123.61
    morpholine 520.14
    tert-butylamine 112.4
    n-dodecanol 28.29
    dimethoxymethane 336.78
    ethylene carbonate 154.13
    cyrene 151.49
    2-ethoxyethyl acetate 135.76
    2-ethylhexyl acetate 103.57
    1,2,4-trichlorobenzene 191.38
    4-methylpyridine 299.86
    dibutyl ether 77.33
    2,6-dimethyl-4-heptanol 40.07
    DEF 257.25
    dimethyl isosorbide 232.49
    tetrachloroethylene 285.3
    eugenol 132.62
    triacetin 137.03
    span 80 108.74
    1,4-butanediol 73.59
    1,1-dichloroethane 335.13
    2-methyl-1-pentanol 114.48
    methyl formate 185.35
    2-methyl-1-butanol 122.74
    n-decane 5.69
    butyronitrile 152.29
    3,7-dimethyl-1-octanol 59.27
    1-chlorooctane 36.06
    1-chlorotetradecane 15.29
    n-nonane 5.08
    undecane 4.45
    tert-butylcyclohexane 14.81
    cyclooctane 2.59
    cyclopentanol 106.45
    tetrahydropyran 284.15
    tert-amyl methyl ether 144.24
    2,5,8-trioxanonane 262.8
    1-hexene 71.62
    2-isopropoxyethanol 158.52
    2,2,2-trifluoroethanol 73.68
    methyl butyrate 157.38

    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