Identifikatoren & physikalische Daten
| CAS No. | 99547-44-1 |
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| Summenformel | C5H12O3 |
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| Durchschnittliche Molmasse | 120,15 g/mol |
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| Monoisotopische Masse | 120,07864424 g/mol |
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| SMILES | COC(C)(CO)OC |
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| InChIKey | IOOUWNQSMXVTRP-UHFFFAOYSA-N |
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| PubChem CID | 11499208 |
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| EC No. | 969-810-8 |
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| DTXSID | DTXSID40467577 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
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| Polarare Oberfläche (TPSA) | 38,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 58,7 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
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