2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester

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  • Identifiers

    CAS number
    56630-76-3

    Molecular formula
    C14H18O3

    SMILES
    CCC1(C(O1)(C)C2=CC=CC=C2)C(=O)OCC

  • Odor profile

    Fragrance
    Fruity 93.18%
    Berry 56.28%
    Floral 38.55%
    Raspberry 31.68%
    Tropical 29.91%
    Sweet 29.85%
    Strawberry 29.34%
    Green 24.44%
    Plum 24.27%
    Woody 24.23%

     

    Flavor
    Fruity 70.79%
    Bitter 52.54%
    Floral 40.5%
    Green 38.83%
    Sweet 34.06%
    Fruit 31.42%
    Tropical 29.7%
    Musty 27.91%
    Berry 25.68%
    Wine 25.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.7 (neutral)

    Molecular weight
    234.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point

    • 119.12 ˚C est.

  • Synonyms

    • 56630-76-3
    • Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester
    • ethyl 2-ethyl-3-methyl-3-phenyloxirane-2-carboxylate
    • 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester
    • SCHEMBL18338919
    • MNSJAWVIQMGRPA-UHFFFAOYSA-N
    • 2-Ethyl-3-methyl-3-phenyl-2-oxiranecarboxylic acid ethyl ester
    • AKOS017548232
    • DB-314003
    • ethyl 2-ethyl-3-methyl-3-phenyl glycidate
    • Ethyl 2-ethyl-3-methyl-3-phenyl-2-oxiranecarboxylate #

  • Applications

    Chemical name: 2-Oxiranecarboxylic acid, 2-ethyl-3-methyl-3-phenyl-, ethyl ester; CAS 56630-76-3. Real-world applications include epoxy systems: it is used as a reactive diluent to reduce viscosity and improve processability of epoxy resins; serves as an intermediate for the synthesis of epoxy resins and specialty polymers; can act as a crosslinking agent or linking site in polymer formulations; employed in electronics packaging/encapsulation and in coatings and inks formulations requiring epoxy functionality; also used as a monomer precursor for specialty polymers and high-grade epoxy resins.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 679.65
    methanol 859.31
    isopropanol 510.83
    water 2.11
    ethyl acetate 812.44
    n-propanol 597.89
    acetone 1293.65
    n-butanol 482.18
    acetonitrile 1089.11
    DMF 1275.63
    toluene 510.35
    isobutanol 434.44
    1,4-dioxane 1270.65
    methyl acetate 918.82
    THF 1328.37
    2-butanone 970.11
    n-pentanol 376.57
    sec-butanol 493.8
    n-hexane 37.53
    ethylene glycol 163.37
    NMP 828.36
    cyclohexane 117.87
    DMSO 723.6
    n-butyl acetate 422.56
    n-octanol 157.93
    chloroform 3197.12
    n-propyl acetate 521.87
    acetic acid 751.71
    dichloromethane 3273.58
    cyclohexanone 1235.3
    propylene glycol 154.94
    isopropyl acetate 451.26
    DMAc 832.81
    2-ethoxyethanol 600.3
    isopentanol 377.34
    n-heptane 25.66
    ethyl formate 598.92
    1,2-dichloroethane 1777.45
    n-hexanol 291.56
    2-methoxyethanol 870.23
    isobutyl acetate 322.56
    tetrachloromethane 368.19
    n-pentyl acetate 350.84
    transcutol 655.93
    n-heptanol 165.52
    ethylbenzene 276.3
    MIBK 381.06
    2-propoxyethanol 507.76
    tert-butanol 448.38
    MTBE 470.1
    2-butoxyethanol 320.7
    propionic acid 516.99
    o-xylene 255.32
    formic acid 284.82
    diethyl ether 655.28
    m-xylene 268.88
    p-xylene 367.46
    chlorobenzene 922.96
    dimethyl carbonate 381.36
    n-octane 17.44
    formamide 640.72
    cyclopentanone 1259.68
    2-pentanone 655.98
    anisole 539.75
    cyclopentyl methyl ether 518.12
    gamma-butyrolactone 1386.22
    1-methoxy-2-propanol 516.36
    pyridine 1599.01
    3-pentanone 582.01
    furfural 1114.53
    n-dodecane 18.83
    diethylene glycol 382.57
    diisopropyl ether 158.62
    tert-amyl alcohol 407.92
    acetylacetone 758.41
    n-hexadecane 21.78
    acetophenone 512.57
    methyl propionate 643.96
    isopentyl acetate 348.25
    trichloroethylene 3021.29
    n-nonanol 144.39
    cyclohexanol 475.92
    benzyl alcohol 461.19
    2-ethylhexanol 170.02
    isooctanol 140.24
    dipropyl ether 167.24
    1,2-dichlorobenzene 725.69
    ethyl lactate 201.99
    propylene carbonate 692.52
    n-methylformamide 792.94
    2-pentanol 304.24
    n-pentane 41.85
    1-propoxy-2-propanol 272.81
    1-methoxy-2-propyl acetate 356.01
    2-(2-methoxypropoxy) propanol 221.29
    mesitylene 156.51
    ε-caprolactone 886.26
    p-cymene 117.28
    epichlorohydrin 1749.15
    1,1,1-trichloroethane 1218.51
    2-aminoethanol 296.45
    morpholine-4-carbaldehyde 850.93
    sulfolane 1006.99
    2,2,4-trimethylpentane 28.95
    2-methyltetrahydrofuran 894.35
    n-hexyl acetate 407.05
    isooctane 22.66
    2-(2-butoxyethoxy)ethanol 301.12
    sec-butyl acetate 326.01
    tert-butyl acetate 379.71
    decalin 53.71
    glycerin 211.82
    diglyme 635.28
    acrylic acid 487.6
    isopropyl myristate 137.14
    n-butyric acid 637.28
    acetyl acetate 520.92
    di(2-ethylhexyl) phthalate 138.2
    ethyl propionate 447.94
    nitromethane 1444.94
    1,2-diethoxyethane 363.32
    benzonitrile 697.2
    trioctyl phosphate 97.46
    1-bromopropane 721.75
    gamma-valerolactone 1324.14
    n-decanol 104.8
    triethyl phosphate 146.24
    4-methyl-2-pentanol 165.13
    propionitrile 815.38
    vinylene carbonate 775.31
    1,1,2-trichlorotrifluoroethane 804.87
    DMS 397.24
    cumene 160.92
    2-octanol 131.59
    2-hexanone 444.74
    octyl acetate 181.86
    limonene 141.57
    1,2-dimethoxyethane 893.44
    ethyl orthosilicate 130.41
    tributyl phosphate 111.84
    diacetone alcohol 368.78
    N,N-dimethylaniline 286.59
    acrylonitrile 1003.88
    aniline 555.78
    1,3-propanediol 436.09
    bromobenzene 1056.89
    dibromomethane 1910.45
    1,1,2,2-tetrachloroethane 1828.98
    2-methyl-cyclohexyl acetate 244.07
    tetrabutyl urea 147.6
    diisobutyl methanol 93.6
    2-phenylethanol 357.0
    styrene 384.48
    dioctyl adipate 189.56
    dimethyl sulfate 446.28
    ethyl butyrate 289.06
    methyl lactate 239.31
    butyl lactate 197.53
    diethyl carbonate 232.11
    propanediol butyl ether 222.4
    triethyl orthoformate 181.31
    p-tert-butyltoluene 102.63
    methyl 4-tert-butylbenzoate 287.64
    morpholine 1220.88
    tert-butylamine 275.6
    n-dodecanol 80.29
    dimethoxymethane 836.05
    ethylene carbonate 682.39
    cyrene 303.92
    2-ethoxyethyl acetate 432.19
    2-ethylhexyl acetate 285.43
    1,2,4-trichlorobenzene 765.16
    4-methylpyridine 1111.81
    dibutyl ether 176.66
    2,6-dimethyl-4-heptanol 93.6
    DEF 633.59
    dimethyl isosorbide 388.0
    tetrachloroethylene 1357.46
    eugenol 283.24
    triacetin 332.77
    span 80 178.56
    1,4-butanediol 216.31
    1,1-dichloroethane 1483.01
    2-methyl-1-pentanol 320.11
    methyl formate 684.04
    2-methyl-1-butanol 392.4
    n-decane 29.02
    butyronitrile 746.63
    3,7-dimethyl-1-octanol 142.8
    1-chlorooctane 136.83
    1-chlorotetradecane 57.43
    n-nonane 25.35
    undecane 22.62
    tert-butylcyclohexane 41.33
    cyclooctane 31.16
    cyclopentanol 519.91
    tetrahydropyran 1070.62
    tert-amyl methyl ether 308.21
    2,5,8-trioxanonane 391.5
    1-hexene 165.15
    2-isopropoxyethanol 386.38
    2,2,2-trifluoroethanol 293.28
    methyl butyrate 573.58

    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