Identifikatoren & physikalische Daten
| CAS No. | 2386-87-0 |
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| Summenformel | C14H20O4 |
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| Durchschnittliche Molmasse | 252,31 g/mol |
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| Monoisotopische Masse | 252,13615911 g/mol |
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| SMILES | O=C(OCC1CCC2OC2C1)C1CCC2OC2C1 |
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| InChIKey | YXALYBMHAYZKAP-UHFFFAOYSA-N |
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| PubChem CID | 16949 |
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| ChEMBL | CHEMBL2143072 |
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| EC No. | 219-207-4 |
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| DTXSID | DTXSID2027466 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 51,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 356 |
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| Polymers | Plastics & Rubber -> Glycidyl Ethers |
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| Physical Description | Liquid[MSDSonline] |
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| Collision Cross Section | 158.0 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2027466] |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P203, P260, P261, P272, P280, P302+P352, P318, P319, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 1.2% (11 of 884) of reports.H317 (98.8%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
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| Regulatorische Informationen | Chemical: 7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl 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)REACH registered substance: 7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate (EC: 219-207-4)7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - Epoxidised cycloaliphatic olefins: Human health tier II assessment |
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| Gefahrenübersicht | An eye and mild skin irritantMay cause skin sensitization[eChemPortal: ERMA] Danger of skin sensitization[MAK] Oral LD50 (rat) = 4490 mg/kg[RTECS] An irritantTargets the liver and kidneys[MSDSonline] |
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| Hazard Classes and Categories | Skin Sens. 1 (98.8%)Carcinogenicity - category 2Skin sensitization - Category 1BMuta. 2 |
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| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
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