Identifikatoren & physikalische Daten
| CAS No. | 634-36-6 |
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| Summenformel | C9H12O3 |
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| Durchschnittliche Molmasse | 168,19 g/mol |
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| Monoisotopische Masse | 168,07864424 g/mol |
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| SMILES | COc1cccc(OC)c1OC |
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| InChIKey | CRUILBNAQILVHZ-UHFFFAOYSA-N |
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| PubChem CID | 12462 |
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| ChEBI | CHEBI:86529 |
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| EC No. | 211-207-2 |
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| DTXSID | DTXSID1060899 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 27,7 |
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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 | 115 |
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| Stoffklassen | Other Classes -> Ethers, Other |
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| SpringerMaterials Properties | Chemical shift |
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| Duftstoffe | Fragrance Ingredient (Benzene, 1,2,3-trimethoxy-) -> IFRA transparency List |
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| LogP (Verteilungskoeffizient) | 1.53 |
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| Aromastoffe | EU Flavoring substances |
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| Dampfdruck | 0.06 [mmHg] |
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| Physical Description | Beige crystalline solid[Sigma-Aldrich MSDS] |
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| Schmelzpunkt | 48.5 °C |
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| Siedepunkt | 235 °C |
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| Dichte | 1.041±0.06 g/cm3(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 98.9% (91 of 92) of all reports.Not ClassifiedAggregated GHS information provided per 92 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: Benzene, 1,2,3-trimethoxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzene, 1,2,3-trimethoxy-: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | Safe when used as a flavoring agent in food[EFSA] May cause irritation[Sigma-Aldrich MSDS] See 1,3-Dimethoxybenzene. |
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| Hazard Classes and Categories | Not Classified |
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