Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate

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  • Identifiers

    CAS number
    52788-71-3

    Molecular formula
    C12H14O3

    SMILES
    CCOC(=O)C1C(O1)C2=CC=C(C=C2)C

  • Odor profile

    Fragrance
    Fruity 95.61%
    Sweet 85.25%
    Floral 76.19%
    Berry 57.9%
    Honey 49.0%
    Cherry 44.61%
    Rose 42.88%
    Strawberry 41.77%
    Powdery 38.95%
    Tropical 36.32%

     

    Flavor
    Bitter 66.38%
    Floral 39.44%
    Fruity 37.84%
    Sweet 32.44%
    Balsam 29.97%
    Herbal 23.79%
    Wintergreen 21.65%
    Orange blossom 21.25%
    Grape 21.24%
    Tarragon 21.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    5.49 (weak acid)

    Molecular weight
    206.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    291°C

    Flash point

    • 131.7 ˚C est.

  • Synonyms

    • Ethyl 3-p-tolyloxirane-2-carboxylate
    • 52788-71-3
    • Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate
    • 3-(p-Tolyl)glycidic acid, ethyl ester
    • TYJ3DG2TQR
    • ethyl 3-(4-methylphenyl)oxirane-2-carboxylate
    • EINECS 258-180-3
    • Oxiranecarboxylic acid, 3-(4-methylphenyl)-, ethyl ester
    • DTXSID20866281
    • 2-Oxiranecarboxylic acid, 3-(4-methylphenyl)-, ethyl ester
    • Ethyl 3-(4-methylphenyl)glycidate
    • UNII-TYJ3DG2TQR
    • SCHEMBL2210689
    • ETHYL 3-P-TOLYLGLYCIDATE
    • DTXCID40814582
    • UMSHXRVBYUKRDF-UHFFFAOYSA-N
    • DB-319429
    • NS00057737
    • GLYCIDIC ACID, 3-P-TOLYL-, ETHYL ESTER

  • Applications

    Ethyl 3-(4-methylphenyl)-2-oxiranecarboxylate (CAS 52788-71-3) is a substituted glycidyl ester that acts as an epoxy monomer and reactive intermediate. In industry, it is used to form epoxy resins for coatings and inks, and can function as a reactive diluent to adjust the viscosity of epoxy systems. It serves as a building block for specialty polymers and polyurethane systems, and is employed in adhesive and sealant formulations to enable crosslinking through its epoxide group. The compound is also used in electronics applications such as encapsulation and protection of components. Handling and use are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 289.67
    methanol 413.66
    isopropanol 126.95
    water 0.27
    ethyl acetate 407.14
    n-propanol 165.35
    acetone 372.57
    n-butanol 131.73
    acetonitrile 319.35
    DMF 345.02
    toluene 89.63
    isobutanol 90.2
    1,4-dioxane 455.32
    methyl acetate 357.53
    THF 353.8
    2-butanone 266.03
    n-pentanol 93.13
    sec-butanol 91.62
    n-hexane 1.69
    ethylene glycol 102.73
    NMP 140.15
    cyclohexane 6.24
    DMSO 293.01
    n-butyl acetate 137.73
    n-octanol 20.22
    chloroform 610.6
    n-propyl acetate 161.28
    acetic acid 322.87
    dichloromethane 711.44
    cyclohexanone 245.37
    propylene glycol 81.64
    isopropyl acetate 195.0
    DMAc 309.57
    2-ethoxyethanol 309.74
    isopentanol 118.83
    n-heptane 1.74
    ethyl formate 162.75
    1,2-dichloroethane 500.19
    n-hexanol 73.44
    2-methoxyethanol 527.68
    isobutyl acetate 104.0
    tetrachloromethane 29.64
    n-pentyl acetate 53.02
    transcutol 647.48
    n-heptanol 28.23
    ethylbenzene 43.39
    MIBK 138.94
    2-propoxyethanol 216.01
    tert-butanol 163.97
    MTBE 146.08
    2-butoxyethanol 96.97
    propionic acid 150.87
    o-xylene 47.91
    formic acid 170.59
    diethyl ether 201.18
    m-xylene 52.99
    p-xylene 57.76
    chlorobenzene 149.87
    dimethyl carbonate 128.56
    n-octane 1.12
    formamide 367.36
    cyclopentanone 265.68
    2-pentanone 221.5
    anisole 137.9
    cyclopentyl methyl ether 121.89
    gamma-butyrolactone 298.09
    1-methoxy-2-propanol 269.35
    pyridine 351.66
    3-pentanone 155.23
    furfural 312.18
    n-dodecane 1.68
    diethylene glycol 260.52
    diisopropyl ether 41.09
    tert-amyl alcohol 108.5
    acetylacetone 330.16
    n-hexadecane 1.96
    acetophenone 134.88
    methyl propionate 250.14
    isopentyl acetate 132.88
    trichloroethylene 782.47
    n-nonanol 21.85
    cyclohexanol 82.16
    benzyl alcohol 127.25
    2-ethylhexanol 40.92
    isooctanol 26.61
    dipropyl ether 41.4
    1,2-dichlorobenzene 130.03
    ethyl lactate 73.7
    propylene carbonate 161.32
    n-methylformamide 213.85
    2-pentanol 71.25
    n-pentane 1.95
    1-propoxy-2-propanol 108.28
    1-methoxy-2-propyl acetate 179.72
    2-(2-methoxypropoxy) propanol 119.2
    mesitylene 30.06
    ε-caprolactone 216.73
    p-cymene 24.82
    epichlorohydrin 535.49
    1,1,1-trichloroethane 231.78
    2-aminoethanol 151.3
    morpholine-4-carbaldehyde 271.55
    sulfolane 215.75
    2,2,4-trimethylpentane 3.65
    2-methyltetrahydrofuran 202.47
    n-hexyl acetate 67.88
    isooctane 3.01
    2-(2-butoxyethoxy)ethanol 162.42
    sec-butyl acetate 116.28
    tert-butyl acetate 174.7
    decalin 5.82
    glycerin 130.2
    diglyme 324.71
    acrylic acid 146.59
    isopropyl myristate 31.42
    n-butyric acid 215.91
    acetyl acetate 225.94
    di(2-ethylhexyl) phthalate 38.23
    ethyl propionate 137.75
    nitromethane 596.91
    1,2-diethoxyethane 168.66
    benzonitrile 131.01
    trioctyl phosphate 21.23
    1-bromopropane 139.7
    gamma-valerolactone 372.65
    n-decanol 17.62
    triethyl phosphate 49.84
    4-methyl-2-pentanol 51.56
    propionitrile 177.71
    vinylene carbonate 171.66
    1,1,2-trichlorotrifluoroethane 295.47
    DMS 130.4
    cumene 29.12
    2-octanol 16.59
    2-hexanone 118.18
    octyl acetate 35.61
    limonene 30.35
    1,2-dimethoxyethane 369.05
    ethyl orthosilicate 46.57
    tributyl phosphate 30.53
    diacetone alcohol 187.05
    N,N-dimethylaniline 69.71
    acrylonitrile 260.7
    aniline 130.81
    1,3-propanediol 229.66
    bromobenzene 153.05
    dibromomethane 367.31
    1,1,2,2-tetrachloroethane 492.61
    2-methyl-cyclohexyl acetate 73.83
    tetrabutyl urea 37.99
    diisobutyl methanol 30.3
    2-phenylethanol 103.21
    styrene 65.26
    dioctyl adipate 51.95
    dimethyl sulfate 141.94
    ethyl butyrate 89.8
    methyl lactate 97.26
    butyl lactate 51.16
    diethyl carbonate 75.27
    propanediol butyl ether 72.03
    triethyl orthoformate 66.15
    p-tert-butyltoluene 24.4
    methyl 4-tert-butylbenzoate 80.97
    morpholine 452.54
    tert-butylamine 73.0
    n-dodecanol 14.66
    dimethoxymethane 334.25
    ethylene carbonate 144.46
    cyrene 105.67
    2-ethoxyethyl acetate 138.24
    2-ethylhexyl acetate 95.15
    1,2,4-trichlorobenzene 149.59
    4-methylpyridine 228.56
    dibutyl ether 33.36
    2,6-dimethyl-4-heptanol 30.3
    DEF 191.06
    dimethyl isosorbide 167.25
    tetrachloroethylene 281.61
    eugenol 88.51
    triacetin 98.43
    span 80 67.15
    1,4-butanediol 76.54
    1,1-dichloroethane 332.55
    2-methyl-1-pentanol 88.48
    methyl formate 176.13
    2-methyl-1-butanol 87.76
    n-decane 2.1
    butyronitrile 142.85
    3,7-dimethyl-1-octanol 33.54
    1-chlorooctane 14.34
    1-chlorotetradecane 7.89
    n-nonane 1.57
    undecane 1.84
    tert-butylcyclohexane 5.22
    cyclooctane 1.89
    cyclopentanol 73.9
    tetrahydropyran 253.85
    tert-amyl methyl ether 92.73
    2,5,8-trioxanonane 226.43
    1-hexene 16.15
    2-isopropoxyethanol 182.65
    2,2,2-trifluoroethanol 111.44
    methyl butyrate 164.87

    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