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3,4,5-Trimethoxybenzylalkohol
(3,4,5-TRIMETHOXYPHENYL)METHANOL · NSC 53949 · RARECHEM AL BD 0063 · 3,4,5-TrimethoxybenzyL · Xanthine Impurity 47-13C · 3,4,5-Trimethoxybenzalcohol · 3,4,5-Trimethyxybencylalcohol · 3,4,5-TRIMETHOXYBENZYL ALCOHOL
Identifikatoren & physikalische Daten
| CAS No. | 3840-31-1 |
|---|---|
| Summenformel | C10H14O4 |
| Durchschnittliche Molmasse | 198,22 g/mol |
| Monoisotopische Masse | 198,08920893 g/mol |
| SMILES | COc1cc(CO)cc(OC)c1OC |
| InChIKey | QPHLRCUCFDXGLY-UHFFFAOYSA-N |
| PubChem CID | 77449 |
| EC No. | 223-331-4 |
| DTXSID | DTXSID20191742 |
| Lokaler Name | 3,4,5-Trimethoxybenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 47,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 148 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| Physical Description | Yellow viscous liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | 3°C |
| Siedepunkt | 228 °C25 mm Hg(lit.) |
| Dichte | 1.233 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.543(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Dichloromethane, Ethanol, Ethyl Acetate |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 13.99±0.10(Predicted) |
| Farbe | Yellow |
| Wichte | 1.20 |
| BRN | 2104523 |
| InChI | 1S/C10H14O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3 |
| InChIKey | QPHLRCUCFDXGLY-UHFFFAOYSA-N |
| SMILES | COc1cc(CO)cc(OC)c1OC |
| CAS Datenbank | 3840-31-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanol, 3,4,5-trimethoxy-(3840-31-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] See 1,2,3-Trimethoxybenzene. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2909.30.6000 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 23-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Present in the leaves of Acer truncatum.