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Trimethylorthoacetat
TMOA · 1,1,1-TRIMETHOXYETHANE · CH3C(OCH3)3 · orthoacetate · Ethane, 1,1,1-trimethoxy- · Methyl orthoacetate · Trimethylorthoaceate · Trimethylorthoacetat
Identifikatoren & physikalische Daten
| CAS No. | 1445-45-0 |
|---|---|
| Summenformel | C5H12O3 |
| Durchschnittliche Molmasse | 120,15 g/mol |
| Monoisotopische Masse | 120,07864424 g/mol |
| SMILES | COC(C)(OC)OC |
| InChIKey | HDPNBNXLBDFELL-UHFFFAOYSA-N |
| PubChem CID | 15050 |
| ChEMBL | CHEMBL3188558 |
| EC No. | 215-892-9 |
| DTXSID | DTXSID8027400 |
| Lokaler Name | Trimethylorthoacetat |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 27,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 50,4 |
| SpringerMaterials Properties | Schoenflies notation |
| Physical Description | CBILiquid |
| Siedepunkt | 107-109 °C(lit.) |
| Dichte | 0.944 g/mL at 25 °C(lit.) |
| Dampfdruck | 20 hPa (20 °C) |
| Brechungsindex | n20/D 1.388(lit.) |
| Flammpunkt | 62 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly)HYDROLYSIS |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly brown |
| Wichte | 0.960 (20/4℃) |
| BRN | 1098338 |
| Henry-Konstante | 6.4×10-1 mol/(m3Pa) at 25℃, Guthrie (1973) |
| InChI | 1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3 |
| InChIKey | HDPNBNXLBDFELL-UHFFFAOYSA-N |
| SMILES | COC(C)(OC)OC |
| LogP (Verteilungskoeffizient) | 1.13 at 25℃ |
| CAS Datenbank | 1445-45-0(CAS DataBase Reference) |
| NIST chemische Informationen | Ethane, 1,1,1-trimethoxy-(1445-45-0) |
| EPA chemische Informationen | Trimethyl orthoacetate (1445-45-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.5% (5 of 201) of reports.DangerH225 (97.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 201 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Ethane, 1,1,1-trimethoxy-Ethane, 1,1,1-trimethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1,1-trimethoxy- 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)Status: Active Update: 18-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25028Trimethyl orthoacetate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 2 (97.5%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3272 3/PG 2 |
| Zollcode | 29159080 |
| R-Sätze (R) | 11-43-38-36/37/38 |
| Toxizität | LD50 orally in Rabbit: > 2000 mg/kg |
| Gefahrensymbole | F,Xi |
| Sicherheitshinweise (S) | 16-37/39-24-33-26-7/9 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 2Skin Sens. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Trimethyl orthoacetate has been used in the preparation of 2-amino-9-(3-acyloxymethyl-4-alkoxycarbonyloxybut-1-yl)purines and 2-amino-9-(3-alkoxycarbonyl-oxymethyl-4-alkoxycarbonyloxybut -1-yl)purines.