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Methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
METHYL (R)-2,2-DIMETHYL-1,3-DIOXOLANE-4-CARBOXYLATE · methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate · D67417 · 3-METHOXY-5,5,8,8-... · (R)-METHYL-O-ISOPROPYLIDENE GLYCERATE · Methyl α,β-isopropylidene-D-glycerate · METHYL 2,3-O-ISOPROPYLIDENE-D-GLYCERATE · (+)-Methyl 2,3-O-Isopropylidene-D-glycerate
Identifikatoren & physikalische Daten
| CAS No. | 52373-72-5 |
|---|---|
| Summenformel | C7H12O4 |
| Durchschnittliche Molmasse | 160,17 g/mol |
| Monoisotopische Masse | 160,07355886 g/mol |
| SMILES | COC(=O)[C@H]1COC(C)(C)O1 |
| InChIKey | DOWWCCDWPKGNGX-RXMQYKEDSA-N |
| PubChem CID | 853166 |
| EC No. | 610-831-6 |
| DTXSID | DTXSID00357405 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 164 |
| Siedepunkt | 70-75 °C/10 mmHg (lit.) |
| Dichte | 1.106 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.426 |
| Flammpunkt | 173 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Yellow |
| BRN | 4292353 |
| InChI | InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m1/s1 |
| InChIKey | DOWWCCDWPKGNGX-RXMQYKEDSA-N |
| SMILES | O1C[C@H](C(OC)=O)OC1(C)C |
| CAS Datenbank | 52373-72-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (100%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, 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. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (100%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29329990 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
(R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic Acid Methyl Ester is a dioxolane derivative used in the preparation of matrix metalloproteinases (MMP) inhibitors.