2-Oxiranecarboxylic acid, 2-phenylethyl ester

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  • Identifiers

    CAS number
    68892-14-8

    Molecular formula
    C11H12O3

    SMILES
    C1C(O1)C(=O)OCCC2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Sweet 75.7%
    Fruity 66.56%
    Honey 66.03%
    Rose 65.17%
    Floral 61.45%
    Balsamic 51.02%
    Green 39.78%
    Spicy 35.95%
    Cocoa 33.45%
    Caramellic 31.67%

     

    Flavor
    Floral 60.71%
    Sweet 51.03%
    Rose 47.82%
    Bitter 44.29%
    Honey 42.81%
    Balsam 42.7%
    Fruity 41.73%
    Waxy 37.34%
    Peach 30.9%
    Oily 29.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    4.82 (weak acid)

    Molecular weight
    192.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    315°C

    Flash point

    • 136.87 ˚C est.

  • Synonyms

    • Phenethyl glycidate
    • 68892-14-8
    • Oxiranecarboxylic acid, 2-phenylethyl ester
    • 2-Oxiranecarboxylic acid, 2-phenylethyl ester
    • DTXSID70887547
    • RefChem:477587
    • DTXCID501026838
    • 2-PHENYLETHYL OXIRANE-2-CARBOXYLATE
    • 2-Oxiranecarboxylic acid 2-phenylethyl ester
    • SCHEMBL20514350
    • UTNDVHQOMQAVKV-UHFFFAOYSA-N
    • 68892-14-8

  • Applications

    CAS 68892-14-8, 2-Oxiranecarboxylic acid, 2-phenylethyl ester is typically used as an epoxy-functional monomer and intermediate for the synthesis of epoxy resins employed in coatings, adhesives, and sealants; it also serves as a reactive diluent to lower viscosity of epoxy formulations while preserving epoxy functionality; it acts as a precursor for specialty polymers and crosslinked materials; it finds use in electronics encapsulation/potting materials due to the robust adhesion and chemical resistance of glycidyl-based resins; and it may be employed in industrial coatings to improve adhesion and chemical resistance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.61
    methanol 72.86
    isopropanol 17.17
    water 0.17
    ethyl acetate 97.65
    n-propanol 22.87
    acetone 90.62
    n-butanol 20.57
    acetonitrile 84.38
    DMF 93.51
    toluene 28.7
    isobutanol 13.36
    1,4-dioxane 122.38
    methyl acetate 89.36
    THF 130.03
    2-butanone 67.29
    n-pentanol 23.23
    sec-butanol 16.54
    n-hexane 0.98
    ethylene glycol 29.07
    NMP 61.29
    cyclohexane 2.16
    DMSO 248.65
    n-butyl acetate 46.51
    n-octanol 5.53
    chloroform 229.64
    n-propyl acetate 59.38
    acetic acid 123.24
    dichloromethane 315.72
    cyclohexanone 73.6
    propylene glycol 19.89
    isopropyl acetate 53.84
    DMAc 142.42
    2-ethoxyethanol 121.7
    isopentanol 24.16
    n-heptane 1.24
    ethyl formate 38.72
    1,2-dichloroethane 219.52
    n-hexanol 18.72
    2-methoxyethanol 134.77
    isobutyl acetate 35.8
    tetrachloromethane 11.15
    n-pentyl acetate 18.32
    transcutol 550.78
    n-heptanol 7.79
    ethylbenzene 16.14
    MIBK 45.44
    2-propoxyethanol 67.51
    tert-butanol 33.77
    MTBE 36.74
    2-butoxyethanol 36.31
    propionic acid 46.83
    o-xylene 21.33
    formic acid 86.93
    diethyl ether 51.63
    m-xylene 18.87
    p-xylene 19.42
    chlorobenzene 47.98
    dimethyl carbonate 48.97
    n-octane 0.5
    formamide 185.75
    cyclopentanone 91.74
    2-pentanone 54.36
    anisole 59.84
    cyclopentyl methyl ether 45.49
    gamma-butyrolactone 127.17
    1-methoxy-2-propanol 75.08
    pyridine 119.19
    3-pentanone 48.02
    furfural 143.75
    n-dodecane 0.59
    diethylene glycol 93.97
    diisopropyl ether 13.97
    tert-amyl alcohol 29.67
    acetylacetone 123.91
    n-hexadecane 0.68
    acetophenone 64.32
    methyl propionate 69.67
    isopentyl acetate 45.59
    trichloroethylene 409.65
    n-nonanol 6.46
    cyclohexanol 19.07
    benzyl alcohol 48.21
    2-ethylhexanol 14.42
    isooctanol 8.28
    dipropyl ether 21.51
    1,2-dichlorobenzene 52.91
    ethyl lactate 35.32
    propylene carbonate 61.54
    n-methylformamide 60.97
    2-pentanol 15.81
    n-pentane 0.87
    1-propoxy-2-propanol 42.98
    1-methoxy-2-propyl acetate 72.73
    2-(2-methoxypropoxy) propanol 67.11
    mesitylene 12.83
    ε-caprolactone 72.88
    p-cymene 11.71
    epichlorohydrin 247.58
    1,1,1-trichloroethane 83.74
    2-aminoethanol 37.32
    morpholine-4-carbaldehyde 126.99
    sulfolane 141.7
    2,2,4-trimethylpentane 1.61
    2-methyltetrahydrofuran 59.57
    n-hexyl acetate 23.04
    isooctane 1.23
    2-(2-butoxyethoxy)ethanol 84.68
    sec-butyl acetate 43.02
    tert-butyl acetate 64.23
    decalin 2.52
    glycerin 53.83
    diglyme 204.45
    acrylic acid 62.06
    isopropyl myristate 13.14
    n-butyric acid 53.04
    acetyl acetate 75.33
    di(2-ethylhexyl) phthalate 16.9
    ethyl propionate 55.88
    nitromethane 276.69
    1,2-diethoxyethane 92.41
    benzonitrile 50.11
    trioctyl phosphate 8.92
    1-bromopropane 45.19
    gamma-valerolactone 143.14
    n-decanol 5.46
    triethyl phosphate 28.96
    4-methyl-2-pentanol 14.69
    propionitrile 46.54
    vinylene carbonate 65.3
    1,1,2-trichlorotrifluoroethane 166.18
    DMS 58.0
    cumene 12.14
    2-octanol 4.4
    2-hexanone 46.7
    octyl acetate 14.3
    limonene 15.19
    1,2-dimethoxyethane 151.27
    ethyl orthosilicate 25.67
    tributyl phosphate 14.21
    diacetone alcohol 73.45
    N,N-dimethylaniline 36.04
    acrylonitrile 81.8
    aniline 40.27
    1,3-propanediol 51.6
    bromobenzene 50.82
    dibromomethane 141.52
    1,1,2,2-tetrachloroethane 239.23
    2-methyl-cyclohexyl acetate 36.87
    tetrabutyl urea 18.85
    diisobutyl methanol 12.28
    2-phenylethanol 37.95
    styrene 23.71
    dioctyl adipate 26.26
    dimethyl sulfate 87.6
    ethyl butyrate 45.63
    methyl lactate 44.13
    butyl lactate 21.6
    diethyl carbonate 39.76
    propanediol butyl ether 31.13
    triethyl orthoformate 35.5
    p-tert-butyltoluene 10.96
    methyl 4-tert-butylbenzoate 45.37
    morpholine 112.12
    tert-butylamine 16.67
    n-dodecanol 4.77
    dimethoxymethane 104.22
    ethylene carbonate 49.61
    cyrene 58.36
    2-ethoxyethyl acetate 55.97
    2-ethylhexyl acetate 33.6
    1,2,4-trichlorobenzene 68.19
    4-methylpyridine 65.36
    dibutyl ether 15.15
    2,6-dimethyl-4-heptanol 12.28
    DEF 68.23
    dimethyl isosorbide 100.19
    tetrachloroethylene 141.5
    eugenol 46.64
    triacetin 60.34
    span 80 36.16
    1,4-butanediol 24.51
    1,1-dichloroethane 107.38
    2-methyl-1-pentanol 27.61
    methyl formate 52.89
    2-methyl-1-butanol 18.84
    n-decane 0.78
    butyronitrile 31.81
    3,7-dimethyl-1-octanol 11.89
    1-chlorooctane 5.02
    1-chlorotetradecane 2.73
    n-nonane 0.61
    undecane 0.66
    tert-butylcyclohexane 2.2
    cyclooctane 1.01
    cyclopentanol 17.4
    tetrahydropyran 57.47
    tert-amyl methyl ether 32.34
    2,5,8-trioxanonane 131.52
    1-hexene 6.72
    2-isopropoxyethanol 72.87
    2,2,2-trifluoroethanol 54.97
    methyl butyrate 61.2

    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