2-oxo-2-(2-phenylethoxy)acetate
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Identifiers
Molecular formula
C10H9O4-SMILES
C1=CC=C(C=C1)CCOC(=O)C(=O)[O-]
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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
2.9pKa est.
2.86 (strong acid)Molecular weight
193.18 g/molFlash point
- 140.32 ˚C est.
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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
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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
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
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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 |