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| IUPAC name : | ethyl 3-oxo-3-phenylpropanoate |
| InChI : | InChI=1/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey : | GKKZMYDNDDMXSE-UHFFFAOYAR |
| SMILES : | CCOC(=O)CC(=O)C1=CC=CC=C1 |
| (EINECS) number : | 202-295-3 |
| cas number : | 94-02-0 |
| beilstein number : | 0389944 |
| fema number : | 2423 |
| coe number : | 627 |
| jecfa number : | 834 |
| fl. number : | 09.476 |
| molar refractivity : | 51.95 ± 0.3 cm3 |
| parachor : | 436.5 ± 4.0 cm3 |
| index of refraction : | 1.509 ± 0.02 |
| surface tension : | 39.6 ± 3.0 dyne/cm |
| density : | 1.104 ± 0.06 g/cm3 |
| polarizability : | 20.59 ± 0.5 10-24cm3 |
| xlogp : | 2.40 |
| molecular weight : | 192.2111800 |
| formula : | C11 H12 O3 |
| BioActivity Analysis : | 131885 |
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| fda reg : | 172.515 |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet fruity cherry acetophenone |
| taste description³ : | at 10.00 ppm.
Sweet, fruity, cherry, berry-like with woody, jammy notes |
| properties : | |
| appearence : | pale yellow clear oily liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.10700 - 1.12000 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.211 to 9.320
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| refractive index : | 1.52800 - 1.53300 @ 20.00 °C.
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| boiling point : | 265.00 - 270.00 °C. @ 760.00 mm Hg
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| boiling point : | 147.00 - 149.00 °C. @ 11.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| logp : | 1.87 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Mouse 6800.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 147.00 °F. TCC ( 63.89 °C. )
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| recommendation for ethyl benzoyl acetate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for ethyl benzoyl acetate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 202-295-3 |
| rtecs : | AF4878000 for 94-02-0 |
| chemidplus : | 000094020 |
| epa-srs : | 94-02-0 |
| dtp/nci : | 227214 |
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| other : | |
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| references : | |
| jecfa number : | 834 |
| fl. number : | 09.476 |
| pubchem : | 150209 |
| NIST Chemistry WebBook : | 1011985572 |
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| reference : | Mosciano, Gerard P&F 20, No. 3, 63, (1995)³ |