Ethyl 3-phenylhydracrylate, (+/-)-

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  • Identifiers

    CAS number
    5764-85-2

    Molecular formula
    C11H14O3

    SMILES
    CCOC(=O)CC(C1=CC=CC=C1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 84.21%
    Floral 58.51%
    Sweet 55.49%
    Balsamic 47.85%
    Honey 35.71%
    Winey 35.35%
    Grape 34.42%
    Spicy 34.04%
    Green 33.22%
    Rose 31.58%

     

    Flavor
    Sweet 72.36%
    Fruity 69.21%
    Floral 64.49%
    Balsam 42.46%
    Grape 39.43%
    Bitter 37.2%
    Rose 35.73%
    Honey 34.8%
    Berry 31.77%
    Strawberry 31.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.22 (neutral)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    284°C

    Flash point

    • 138.04 ˚C est.

  • Synonyms

    • Ethyl 3-hydroxy-3-phenylpropanoate
    • 5764-85-2
    • Ethyl 3-hydroxy-3-phenylpropionate
    • 3-Hydroxy-3-phenylpropionic acid ethyl ester
    • Hydracrylic acid, 3-phenyl-, ethyl ester
    • Ethyl 3-phenylhydracrylate, (+/-)-
    • 3LXM18J49C
    • Benzenepropanoic acid, beta-hydroxy-, ethyl ester
    • Benzenepropanoic acid, .beta.-hydroxy-, ethyl ester
    • EINECS 227-288-2
    • MFCD00086891
    • NSC 226071
    • NSC-226071
    • AI3-06216
    • DTXSID2052239
    • ETHYL 3-PHENYLHYDRACRYLATE
    • ethyl 3-phenyl-3-hydroxypropionate
    • 3-hydroxy-3-phenyl-propionic acid ethyl ester
    • .BETA.-HYDROXYBENZENEPROPANOIC ACID ETHYL ESTER
    • ETHYL-3-HYDROXY-3-PHENYL PROPIONATE
    • UNII-3LXM18J49C
    • leather propionate
    • Hydracrylic acid, ethyl ester
    • SCHEMBL295741
    • CHEMBL2252097
    • DTXCID1030810
    • (+/-)-ethyl 3-phenylhydracrylate
    • C6H5CH(OH)CH2C(O)OC2H5
    • NSC226071
    • AKOS009157232
    • ETHYL BETA-HYDROXYHYDROCINNAMATE
    • SB44810
    • SB46662
    • (-)-ethyl 3-phenyl-3-hydroxypropionate
    • DS-16935
    • SY015621
    • ethyl (3R)-3-hydroxy-3-phenyl-propanoate
    • racemic ethyl 3-phenyl-3-hydroxypropionate
    • DB-000192
    • CS-0151615
    • NS00012417
    • EN300-79362
    • Propanoic acid, 3-hydroxy-3-phenyl-, ethyl ester
    • BETA-HYDROXYBENZENEPROPANOIC ACID ETHYL ESTER
    • Q27257592
    • Z982131446
    • 227-288-2

  • Applications

    Ethyl 3-phenylhydracrylate, (+/-)- (CAS 5764-85-2) is an ethyl hydracrylate ester used primarily as a monomer or starting material for acrylic polymers and related plastics, coatings, and adhesives. It is also viewed as a fragrance intermediate or odorant for perfumery and cosmetics, and can serve as a fragrance component in personal care formulations. In the industrial manufacturing sector, it functions as an intermediate in the synthesis of specialty polymers and resins, and may appear as a fragrance additive in cleaning and household products, within regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 378.79
    methanol 631.65
    isopropanol 220.76
    water 1.72
    ethyl acetate 185.28
    n-propanol 217.2
    acetone 478.22
    n-butanol 165.54
    acetonitrile 263.69
    DMF 1143.76
    toluene 35.81
    isobutanol 126.1
    1,4-dioxane 564.29
    methyl acetate 197.32
    THF 622.48
    2-butanone 182.46
    n-pentanol 107.64
    sec-butanol 115.75
    n-hexane 2.53
    ethylene glycol 200.67
    NMP 596.31
    cyclohexane 5.05
    DMSO 1678.95
    n-butyl acetate 102.01
    n-octanol 37.2
    chloroform 318.33
    n-propyl acetate 87.95
    acetic acid 422.08
    dichloromethane 316.13
    cyclohexanone 282.21
    propylene glycol 202.91
    isopropyl acetate 95.66
    DMAc 767.37
    2-ethoxyethanol 263.08
    isopentanol 127.9
    n-heptane 2.16
    ethyl formate 111.65
    1,2-dichloroethane 275.47
    n-hexanol 88.25
    2-methoxyethanol 585.86
    isobutyl acetate 64.78
    tetrachloromethane 18.76
    n-pentyl acetate 42.65
    transcutol 858.72
    n-heptanol 32.95
    ethylbenzene 24.13
    MIBK 99.46
    2-propoxyethanol 217.38
    tert-butanol 296.7
    MTBE 116.15
    2-butoxyethanol 94.6
    propionic acid 217.74
    o-xylene 31.66
    formic acid 216.85
    diethyl ether 130.33
    m-xylene 33.87
    p-xylene 32.28
    chlorobenzene 81.66
    dimethyl carbonate 118.77
    n-octane 1.2
    formamide 359.17
    cyclopentanone 422.67
    2-pentanone 156.85
    anisole 109.77
    cyclopentyl methyl ether 165.18
    gamma-butyrolactone 502.45
    1-methoxy-2-propanol 347.81
    pyridine 215.68
    3-pentanone 107.59
    furfural 346.8
    n-dodecane 2.1
    diethylene glycol 283.0
    diisopropyl ether 27.44
    tert-amyl alcohol 154.03
    acetylacetone 251.58
    n-hexadecane 2.44
    acetophenone 99.8
    methyl propionate 174.14
    isopentyl acetate 88.5
    trichloroethylene 438.62
    n-nonanol 34.72
    cyclohexanol 121.66
    benzyl alcohol 94.17
    2-ethylhexanol 46.6
    isooctanol 28.51
    dipropyl ether 49.06
    1,2-dichlorobenzene 83.19
    ethyl lactate 71.22
    propylene carbonate 208.68
    n-methylformamide 365.64
    2-pentanol 78.74
    n-pentane 1.79
    1-propoxy-2-propanol 126.86
    1-methoxy-2-propyl acetate 136.57
    2-(2-methoxypropoxy) propanol 140.47
    mesitylene 23.17
    ε-caprolactone 212.13
    p-cymene 20.79
    epichlorohydrin 487.04
    1,1,1-trichloroethane 134.82
    2-aminoethanol 264.36
    morpholine-4-carbaldehyde 511.23
    sulfolane 620.85
    2,2,4-trimethylpentane 3.42
    2-methyltetrahydrofuran 270.11
    n-hexyl acetate 79.92
    isooctane 2.85
    2-(2-butoxyethoxy)ethanol 184.35
    sec-butyl acetate 57.79
    tert-butyl acetate 118.21
    decalin 6.1
    glycerin 300.38
    diglyme 362.4
    acrylic acid 217.47
    isopropyl myristate 34.31
    n-butyric acid 212.24
    acetyl acetate 131.21
    di(2-ethylhexyl) phthalate 44.18
    ethyl propionate 82.91
    nitromethane 725.73
    1,2-diethoxyethane 135.67
    benzonitrile 100.7
    trioctyl phosphate 30.71
    1-bromopropane 77.19
    gamma-valerolactone 474.48
    n-decanol 27.22
    triethyl phosphate 50.21
    4-methyl-2-pentanol 47.1
    propionitrile 146.35
    vinylene carbonate 186.6
    1,1,2-trichlorotrifluoroethane 340.02
    DMS 110.61
    cumene 21.75
    2-octanol 20.45
    2-hexanone 93.21
    octyl acetate 42.75
    limonene 30.74
    1,2-dimethoxyethane 404.93
    ethyl orthosilicate 44.66
    tributyl phosphate 43.78
    diacetone alcohol 177.52
    N,N-dimethylaniline 72.96
    acrylonitrile 203.14
    aniline 101.69
    1,3-propanediol 292.71
    bromobenzene 70.48
    dibromomethane 163.71
    1,1,2,2-tetrachloroethane 353.19
    2-methyl-cyclohexyl acetate 69.86
    tetrabutyl urea 60.27
    diisobutyl methanol 29.31
    2-phenylethanol 78.48
    styrene 32.27
    dioctyl adipate 63.11
    dimethyl sulfate 246.26
    ethyl butyrate 71.03
    methyl lactate 137.12
    butyl lactate 57.26
    diethyl carbonate 63.17
    propanediol butyl ether 112.99
    triethyl orthoformate 59.97
    p-tert-butyltoluene 20.89
    methyl 4-tert-butylbenzoate 90.43
    morpholine 598.38
    tert-butylamine 115.72
    n-dodecanol 21.24
    dimethoxymethane 414.28
    ethylene carbonate 154.11
    cyrene 141.41
    2-ethoxyethyl acetate 87.26
    2-ethylhexyl acetate 64.28
    1,2,4-trichlorobenzene 110.28
    4-methylpyridine 170.34
    dibutyl ether 44.12
    2,6-dimethyl-4-heptanol 29.31
    DEF 230.48
    dimethyl isosorbide 213.93
    tetrachloroethylene 179.03
    eugenol 96.48
    triacetin 110.35
    span 80 97.42
    1,4-butanediol 102.97
    1,1-dichloroethane 179.96
    2-methyl-1-pentanol 84.1
    methyl formate 259.24
    2-methyl-1-butanol 103.96
    n-decane 2.97
    butyronitrile 133.54
    3,7-dimethyl-1-octanol 41.42
    1-chlorooctane 19.05
    1-chlorotetradecane 9.29
    n-nonane 2.44
    undecane 2.44
    tert-butylcyclohexane 5.84
    cyclooctane 1.57
    cyclopentanol 157.64
    tetrahydropyran 292.6
    tert-amyl methyl ether 79.67
    2,5,8-trioxanonane 268.83
    1-hexene 19.7
    2-isopropoxyethanol 140.88
    2,2,2-trifluoroethanol 134.72
    methyl butyrate 113.73

    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