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3,4,5-Trimethoxytoluol
Benzene, 1,2,3-trimethoxy-5-methyl- · 1,2,3-Trimethoxy-5-methylbenzene · TriMethoxytoluene · 3,4,5-Trimethoxytolu · Trimethoprim Lactnte · 3,4,5-trimethoxytoluen · 3,4,5-Trimethoxytolune · 3,4,5-TRIMETHOXYTOLUENE
Identifikatoren & physikalische Daten
| CAS No. | 6443-69-2 |
|---|---|
| Summenformel | C10H14O3 |
| Durchschnittliche Molmasse | 182,22 g/mol |
| Monoisotopische Masse | 182,0942943 g/mol |
| SMILES | COc1cc(C)cc(OC)c1OC |
| InChIKey | KCIZTNZGSBSSRM-UHFFFAOYSA-N |
| PubChem CID | 80922 |
| ChEMBL | CHEMBL156710 |
| ChEBI | CHEBI:81354 |
| EC No. | 229-239-0 |
| DTXSID | DTXSID80214683 |
| Lokaler Name | 3,4,5-Trimethoxytoluol |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 27,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 135 |
| Kovats Retention Index | 140014191421143514101406.514081395.114071404.82041 |
| Schmelzpunkt | 24-26 °C (lit.) |
| Siedepunkt | 117-118 °C/5 mmHg (lit.) |
| Dichte | 1.082 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.523(lit.) |
| Flammpunkt | 166 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to lump to clear liquid |
| Farbe | White or Colorless to Light yellow |
| Wichte | 1.082 |
| BRN | 1953791 |
| InChI | 1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3 |
| InChIKey | KCIZTNZGSBSSRM-UHFFFAOYSA-N |
| SMILES | COc1cc(C)cc(OC)c1OC |
| LogP (Verteilungskoeffizient) | 1.819 (est) |
| CAS Datenbank | 6443-69-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1,2,3-trimethoxy-5-methyl-(6443-69-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (107 of 107) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 107 of 107 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 107 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 107 of 107 reports by companies.There are 0 notifications provided by 0 of 107 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. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 20-10-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/7738Status: Active Update: 29-10-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12700 |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29093090 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3,4,5-Trimethoxytoluene is a reagent for oxadiazolylindazole sodium channel modulators which are neuroprotective toward hippocampal neurons.