2-oxo-2-(2-phenylethoxy)acetate

  • Identifiers

    Molecular formula
    C10H9O4-

    SMILES
    C1=CC=C(C=C1)CCOC(=O)C(=O)[O-]

  • Odor profile

    Fragrance
    Sweet 62.67%
    Honey 55.05%
    Balsamic 50.2%
    Green 49.26%
    Floral 44.14%
    Rose 41.93%
    Caramellic 38.0%
    Spicy 36.11%
    Fruity 34.96%
    Fatty 34.66%

     

    Flavor
    Fruity 42.51%
    Sweet 38.34%
    Balsam 34.42%
    Honey 30.79%
    Odorless 27.3%
    Strawberry 27.12%
    Faint 25.2%
    Grape 24.46%
    Mild 24.12%
    Rose 23.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    2.86 (strong acid)

    Molecular weight
    193.18 g/mol

    Flash point

    • 140.32 ˚C est.

  • Applications

    2-oxo-2-(2-phenylethoxy)acetate serves as a useful intermediate in organic synthesis, commonly used as a building block for the production of pharmaceuticals and agrochemicals and as a precursor to a range of more complex esters. It also provides a platform for esterification reactions and for routes to polymer and plastic resin syntheses. In the polymers, coatings, and inks sector, the compound can be employed as a processing additive or co-solvent to improve processability and coating performance. Additionally, owing to the phenyl moiety, it may be used as a fragrance or cosmetic intermediate, acting as a precursor to aromatic aroma compounds. Its exact uses depend on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 147.43
    methanol 270.8
    isopropanol 53.78
    water 0.27
    ethyl acetate 254.56
    n-propanol 89.78
    acetone 246.14
    n-butanol 64.08
    acetonitrile 95.7
    DMF 1069.81
    toluene 63.16
    isobutanol 43.0
    1,4-dioxane 115.64
    methyl acetate 219.89
    THF 235.43
    2-butanone 240.16
    n-pentanol 42.24
    sec-butanol 63.91
    n-hexane 1.52
    ethylene glycol 120.21
    NMP 872.53
    cyclohexane 2.26
    DMSO 1750.52
    n-butyl acetate 77.04
    n-octanol 10.87
    chloroform 89.04
    n-propyl acetate 70.22
    acetic acid 203.54
    dichloromethane 164.63
    cyclohexanone 159.09
    propylene glycol 83.89
    isopropyl acetate 119.55
    DMAc 731.81
    2-ethoxyethanol 225.61
    isopentanol 58.36
    n-heptane 1.67
    ethyl formate 69.22
    1,2-dichloroethane 264.05
    n-hexanol 43.21
    2-methoxyethanol 577.94
    isobutyl acetate 21.25
    tetrachloromethane 9.36
    n-pentyl acetate 34.67
    transcutol 1221.16
    n-heptanol 16.27
    ethylbenzene 23.99
    MIBK 99.87
    2-propoxyethanol 193.93
    tert-butanol 95.08
    MTBE 77.56
    2-butoxyethanol 77.68
    propionic acid 146.67
    o-xylene 47.99
    formic acid 250.93
    diethyl ether 102.09
    m-xylene 43.05
    p-xylene 18.97
    chlorobenzene 60.27
    dimethyl carbonate 168.69
    n-octane 0.67
    formamide 904.06
    cyclopentanone 279.33
    2-pentanone 200.56
    anisole 89.74
    cyclopentyl methyl ether 156.59
    gamma-butyrolactone 423.18
    1-methoxy-2-propanol 336.89
    pyridine 193.72
    3-pentanone 168.23
    furfural 327.57
    n-dodecane 0.54
    diethylene glycol 262.3
    diisopropyl ether 25.33
    tert-amyl alcohol 104.84
    acetylacetone 330.44
    n-hexadecane 0.63
    acetophenone 108.35
    methyl propionate 324.32
    isopentyl acetate 61.31
    trichloroethylene 439.02
    n-nonanol 11.53
    cyclohexanol 55.61
    benzyl alcohol 86.67
    2-ethylhexanol 23.05
    isooctanol 13.17
    dipropyl ether 30.45
    1,2-dichlorobenzene 70.19
    ethyl lactate 65.97
    propylene carbonate 138.32
    n-methylformamide 543.69
    2-pentanol 51.61
    n-pentane 2.34
    1-propoxy-2-propanol 112.82
    1-methoxy-2-propyl acetate 183.38
    2-(2-methoxypropoxy) propanol 131.83
    mesitylene 22.36
    ε-caprolactone 166.78
    p-cymene 15.27
    epichlorohydrin 606.32
    1,1,1-trichloroethane 86.95
    2-aminoethanol 182.41
    morpholine-4-carbaldehyde 507.0
    sulfolane 942.63
    2,2,4-trimethylpentane 2.09
    2-methyltetrahydrofuran 165.4
    n-hexyl acetate 45.2
    isooctane 1.63
    2-(2-butoxyethoxy)ethanol 199.81
    sec-butyl acetate 50.28
    tert-butyl acetate 164.09
    decalin 2.56
    glycerin 202.3
    diglyme 389.13
    acrylic acid 192.69
    isopropyl myristate 17.11
    n-butyric acid 129.71
    acetyl acetate 113.08
    di(2-ethylhexyl) phthalate 22.08
    ethyl propionate 91.2
    nitromethane 676.24
    1,2-diethoxyethane 136.65
    benzonitrile 59.31
    trioctyl phosphate 14.03
    1-bromopropane 57.81
    gamma-valerolactone 372.87
    n-decanol 9.06
    triethyl phosphate 30.32
    4-methyl-2-pentanol 29.88
    propionitrile 70.67
    vinylene carbonate 111.65
    1,1,2-trichlorotrifluoroethane 420.48
    DMS 123.65
    cumene 14.36
    2-octanol 9.07
    2-hexanone 69.03
    octyl acetate 24.44
    limonene 23.69
    1,2-dimethoxyethane 207.85
    ethyl orthosilicate 26.8
    tributyl phosphate 20.0
    diacetone alcohol 291.85
    N,N-dimethylaniline 62.36
    acrylonitrile 167.51
    aniline 119.99
    1,3-propanediol 174.9
    bromobenzene 53.66
    dibromomethane 85.86
    1,1,2,2-tetrachloroethane 314.95
    2-methyl-cyclohexyl acetate 38.57
    tetrabutyl urea 32.65
    diisobutyl methanol 16.88
    2-phenylethanol 72.38
    styrene 31.9
    dioctyl adipate 36.99
    dimethyl sulfate 427.72
    ethyl butyrate 53.22
    methyl lactate 209.71
    butyl lactate 48.05
    diethyl carbonate 34.57
    propanediol butyl ether 87.59
    triethyl orthoformate 33.67
    p-tert-butyltoluene 16.07
    methyl 4-tert-butylbenzoate 80.26
    morpholine 211.47
    tert-butylamine 38.52
    n-dodecanol 6.86
    dimethoxymethane 475.95
    ethylene carbonate 74.82
    cyrene 130.2
    2-ethoxyethyl acetate 113.68
    2-ethylhexyl acetate 42.14
    1,2,4-trichlorobenzene 104.38
    4-methylpyridine 166.68
    dibutyl ether 17.14
    2,6-dimethyl-4-heptanol 16.88
    DEF 376.08
    dimethyl isosorbide 249.91
    tetrachloroethylene 173.16
    eugenol 79.41
    triacetin 89.81
    span 80 78.24
    1,4-butanediol 58.47
    1,1-dichloroethane 95.92
    2-methyl-1-pentanol 43.6
    methyl formate 278.54
    2-methyl-1-butanol 60.3
    n-decane 0.8
    butyronitrile 39.87
    3,7-dimethyl-1-octanol 18.08
    1-chlorooctane 6.4
    1-chlorotetradecane 2.81
    n-nonane 0.69
    undecane 0.65
    tert-butylcyclohexane 2.17
    cyclooctane 1.23
    cyclopentanol 62.45
    tetrahydropyran 80.17
    tert-amyl methyl ether 102.26
    2,5,8-trioxanonane 286.26
    1-hexene 10.0
    2-isopropoxyethanol 116.94
    2,2,2-trifluoroethanol 90.3
    methyl butyrate 99.57

    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