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| IUPAC name : | ethyl 2-oxopropanoate |
| InChI : | InChI=1/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3 |
| InChIKey : | XXRCUYVCPSWGCC-UHFFFAOYAM |
| SMILES : | CCOC(=O)C(=O)C |
| cas number : | 617-35-6 |
| (EINECS) number : | 210-511-2 |
| beilstein number : | 1071466 |
| fema number : | 2457 |
| coe number : | 430 |
| jecfa number : | 938 |
| fl. number : | 09.442 |
| molar refractivity : | 27.01 ± 0.3 cm3 |
| parachor : | 260.8 ± 4.0 cm3 |
| index of refraction : | 1.399 ± 0.02 |
| surface tension : | 29.7 ± 3.0 dyne/cm |
| density : | 1.039 ± 0.06 g/cm3 |
| polarizability : | 10.71 ± 0.5 10-24cm3 |
| XlogP : | 0.30 |
| molecular weight : | 116.1152200 |
| formula : | C5 H8 O3 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.13.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Advanced Biotech : | ethyl pyruvate
95% min. natural Odor: Caramel |
| Fleurchem : | ethyl pyruvate
natural |
| Inoue : | ETHYL PYRUVATE
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| Penta : | ethyl pyruvate
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| Sigma-Aldrich-SAFC : | Ethyl pyruvate
≥97%, FG Odor: green; vegetable; balsamic |
| Sigma-Aldrich-SAFC : | Ethyl pyruvate
≥95%, natural Odor: green; vegetable; balsamic |
organoleptics :
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| odor type : | ethereal |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | ether fruity sweet sharp rum vegetable caramel |
properties :
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| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.04400 to 1.06500 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.687 to 8.862
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| refractive index : | 1.40300 to 1.40900 @ 20.00 °C.
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| melting point : | -50.00 °C. @ 760.00 mm Hg
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| boiling point : | 144.00 °C. @ 760.00 mm Hg
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| boiling point : | 66.00 °C. @ 18.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| flash point : | 114.00 °F. TCC ( 45.56 °C. )
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| logP (o/w) : | -0.47 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 10 - Flammable. R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24 - Avoid contact with skin. S 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.61 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 20.00 (μg/capita/day) |
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| recommendation for ethyl pyruvate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for ethyl pyruvate usage levels up to : |
| | 150.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| ClinicalTrials.gov : | search |
| Daily Med : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 3272 |
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| WGK Germany : | 3 |
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| | ethyl 2-oxopropanoate
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| (EINECS) number : | 210-511-2 |
| chemidplus : | 000617356 |
| EPA Substance Registry Services : | 617-35-6 |
| dtp/nci : | 48386 |
references :
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| | ethyl 2-oxopropanoate
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| fl. number : | 09.442 |
| jecfa number : | 938 |
| NIST Chemistry WebBook : | 4287415135 |
| pubchem : | 155354 |
Cosmetics :
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| Cosmetic uses : |
skin conditioning
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |