Ethyl 3-(2,4-dimethylphenyl)oxirane-2-carboxylate

  • Identifiers

    Molecular formula
    C13H16O3

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

  • Odor profile

    Fragrance
    Fruity 83.55%
    Floral 73.07%
    Sweet 59.71%
    Berry 45.17%
    Grape 38.59%
    Honey 35.65%
    Powdery 34.98%
    Green 31.63%
    Cherry 30.73%
    Rose 29.39%

     

    Flavor
    Bitter 74.01%
    Floral 22.3%
    Bland 21.62%
    Fruity 21.6%
    Odorless 21.04%
    Parsley 20.84%
    Heather 20.54%
    Ethyl benzoate 20.31%
    Orange flower 20.2%
    Broom 20.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    5.68 (weak acid)

    Molecular weight
    220.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    303°C

    Flash point

    • 132.6 ˚C est.

  • Applications

    Ethyl 3-(2,4-dimethylphenyl)oxirane-2-carboxylate is mainly used as an epoxy monomer and reactive intermediate in polymer chemistry. In industry it serves as a building block for epoxy resin formulations used in coatings, sealants and adhesives, where the glycidyl group enables efficient crosslinking with amines or anhydrides. It may serve as a reactive diluent to adjust viscosity during processing of epoxy systems in industrial manufacturing. As an intermediate, it supports the synthesis of specialty polymers and functional materials, including electronics encapsulation materials and high-performance coatings. It may also be employed in surface-modification and formulation work for inks and coatings that require robust adhesion and chemical resistance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 258.43
    methanol 338.59
    isopropanol 138.97
    water 0.29
    ethyl acetate 418.06
    n-propanol 160.71
    acetone 439.47
    n-butanol 140.87
    acetonitrile 304.1
    DMF 529.88
    toluene 127.99
    isobutanol 102.97
    1,4-dioxane 581.17
    methyl acetate 351.59
    THF 650.49
    2-butanone 287.97
    n-pentanol 92.83
    sec-butanol 94.62
    n-hexane 4.07
    ethylene glycol 86.3
    NMP 343.44
    cyclohexane 12.06
    DMSO 342.45
    n-butyl acetate 173.82
    n-octanol 20.25
    chloroform 799.72
    n-propyl acetate 170.43
    acetic acid 347.44
    dichloromethane 961.63
    cyclohexanone 349.25
    propylene glycol 65.87
    isopropyl acetate 235.23
    DMAc 390.82
    2-ethoxyethanol 289.16
    isopentanol 131.2
    n-heptane 3.48
    ethyl formate 174.6
    1,2-dichloroethane 674.71
    n-hexanol 87.75
    2-methoxyethanol 549.49
    isobutyl acetate 126.9
    tetrachloromethane 53.97
    n-pentyl acetate 79.25
    transcutol 650.69
    n-heptanol 33.18
    ethylbenzene 52.04
    MIBK 171.21
    2-propoxyethanol 275.06
    tert-butanol 177.16
    MTBE 203.66
    2-butoxyethanol 113.0
    propionic acid 163.12
    o-xylene 61.61
    formic acid 173.03
    diethyl ether 299.97
    m-xylene 75.86
    p-xylene 69.0
    chlorobenzene 216.59
    dimethyl carbonate 172.06
    n-octane 1.72
    formamide 355.7
    cyclopentanone 423.05
    2-pentanone 261.95
    anisole 161.88
    cyclopentyl methyl ether 239.27
    gamma-butyrolactone 480.55
    1-methoxy-2-propanol 302.48
    pyridine 404.24
    3-pentanone 195.57
    furfural 423.2
    n-dodecane 2.08
    diethylene glycol 283.04
    diisopropyl ether 65.89
    tert-amyl alcohol 121.49
    acetylacetone 396.73
    n-hexadecane 2.51
    acetophenone 156.89
    methyl propionate 286.75
    isopentyl acetate 173.53
    trichloroethylene 1029.28
    n-nonanol 23.43
    cyclohexanol 118.42
    benzyl alcohol 134.24
    2-ethylhexanol 49.96
    isooctanol 31.72
    dipropyl ether 63.86
    1,2-dichlorobenzene 187.11
    ethyl lactate 80.83
    propylene carbonate 249.37
    n-methylformamide 267.47
    2-pentanol 84.84
    n-pentane 4.43
    1-propoxy-2-propanol 142.87
    1-methoxy-2-propyl acetate 247.0
    2-(2-methoxypropoxy) propanol 126.56
    mesitylene 43.96
    ε-caprolactone 302.36
    p-cymene 33.4
    epichlorohydrin 836.04
    1,1,1-trichloroethane 345.95
    2-aminoethanol 134.48
    morpholine-4-carbaldehyde 446.7
    sulfolane 398.2
    2,2,4-trimethylpentane 6.28
    2-methyltetrahydrofuran 387.65
    n-hexyl acetate 92.68
    isooctane 5.13
    2-(2-butoxyethoxy)ethanol 167.59
    sec-butyl acetate 130.0
    tert-butyl acetate 245.37
    decalin 9.82
    glycerin 123.57
    diglyme 362.35
    acrylic acid 170.72
    isopropyl myristate 42.53
    n-butyric acid 234.17
    acetyl acetate 257.42
    di(2-ethylhexyl) phthalate 48.3
    ethyl propionate 155.89
    nitromethane 666.08
    1,2-diethoxyethane 211.78
    benzonitrile 151.85
    trioctyl phosphate 28.97
    1-bromopropane 198.36
    gamma-valerolactone 566.26
    n-decanol 18.72
    triethyl phosphate 68.4
    4-methyl-2-pentanol 60.64
    propionitrile 187.73
    vinylene carbonate 244.92
    1,1,2-trichlorotrifluoroethane 378.01
    DMS 181.61
    cumene 37.09
    2-octanol 19.12
    2-hexanone 131.8
    octyl acetate 49.14
    limonene 43.93
    1,2-dimethoxyethane 399.58
    ethyl orthosilicate 65.88
    tributyl phosphate 42.67
    diacetone alcohol 226.04
    N,N-dimethylaniline 89.05
    acrylonitrile 257.98
    aniline 163.69
    1,3-propanediol 225.39
    bromobenzene 231.2
    dibromomethane 490.33
    1,1,2,2-tetrachloroethane 623.77
    2-methyl-cyclohexyl acetate 107.29
    tetrabutyl urea 51.34
    diisobutyl methanol 37.51
    2-phenylethanol 125.93
    styrene 75.13
    dioctyl adipate 67.77
    dimethyl sulfate 210.94
    ethyl butyrate 114.38
    methyl lactate 118.52
    butyl lactate 60.99
    diethyl carbonate 95.65
    propanediol butyl ether 72.35
    triethyl orthoformate 89.71
    p-tert-butyltoluene 33.54
    methyl 4-tert-butylbenzoate 103.27
    morpholine 618.55
    tert-butylamine 89.66
    n-dodecanol 15.46
    dimethoxymethane 489.18
    ethylene carbonate 210.85
    cyrene 141.7
    2-ethoxyethyl acetate 191.21
    2-ethylhexyl acetate 128.27
    1,2,4-trichlorobenzene 218.43
    4-methylpyridine 305.16
    dibutyl ether 44.23
    2,6-dimethyl-4-heptanol 37.51
    DEF 266.97
    dimethyl isosorbide 240.46
    tetrachloroethylene 393.31
    eugenol 102.28
    triacetin 125.36
    span 80 81.48
    1,4-butanediol 69.96
    1,1-dichloroethane 427.35
    2-methyl-1-pentanol 93.76
    methyl formate 219.93
    2-methyl-1-butanol 105.42
    n-decane 2.86
    butyronitrile 163.64
    3,7-dimethyl-1-octanol 35.78
    1-chlorooctane 18.92
    1-chlorotetradecane 10.17
    n-nonane 2.21
    undecane 2.41
    tert-butylcyclohexane 8.94
    cyclooctane 3.71
    cyclopentanol 125.29
    tetrahydropyran 390.81
    tert-amyl methyl ether 133.65
    2,5,8-trioxanonane 236.37
    1-hexene 25.73
    2-isopropoxyethanol 186.24
    2,2,2-trifluoroethanol 142.8
    methyl butyrate 177.01

    Scent© AI

1 of 3
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