Identifikatoren & physikalische Daten
| CAS No. | 15206-55-0 |
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| Summenformel | C9H8O3 |
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| Durchschnittliche Molmasse | 164,16 g/mol |
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| Monoisotopische Masse | 164,04734411 g/mol |
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| SMILES | COC(=O)C(=O)c1ccccc1 |
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| InChIKey | YLHXLHGIAMFFBU-UHFFFAOYSA-N |
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| PubChem CID | 84835 |
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| ChEBI | CHEBI:84256 |
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| EC No. | 239-263-3 |
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| DTXSID | DTXSID9065867 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 43,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 180 |
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| Physical Description | Large CrystalsLiquid |
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| Kovats Retention Index | 1335.1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 17.1% (48 of 280) of reports.WarningH315 (26.4%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (56.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (26.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (26.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 280 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 48 of 280 reports by companies.There are 6 notifications provided by 232 of 280 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Regulatorische Informationen | Chemical: Benzeneacetic acid, .alpha.-oxo-, methyl esterBenzeneacetic acid, .alpha.-oxo-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzeneacetic acid, .alpha.-oxo-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 19-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16435Status: Cease Manufacture Update: 18-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6562Benzeneacetic acid, .alpha.-oxo-, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | |
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