HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(Benzyloxy)propan-2-one
1-(Benzyloxy)propan-2-one · Benzyloxyacetone · 3-benzyloxypropanone · Benzyloxyacetone 90% · 1-(Benzyloxy)acetone · 1-BENZYLOXY-2-PROPANONE · 1-(Benzyloxy)propane-2-one · 1-phenylmethoxypropan-2-one
Identifikatoren & physikalische Daten
| CAS No. | 22539-93-1 |
|---|---|
| Summenformel | C10H12O2 |
| Durchschnittliche Molmasse | 164,2 g/mol |
| Monoisotopische Masse | 164,08372962 g/mol |
| SMILES | CC(=O)COCc1ccccc1 |
| InChIKey | YHMRKVGUSQWDGZ-UHFFFAOYSA-N |
| PubChem CID | 3691284 |
| EC No. | 828-028-6 |
| DTXSID | DTXSID10395111 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 137 |
| SpringerMaterials Properties | Chemical shift |
| Siedepunkt | 259 °C (lit.) |
| Dichte | 1.04 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.512(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| InChI | InChI=1S/C10H12O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChIKey | YHMRKVGUSQWDGZ-UHFFFAOYSA-N |
| SMILES | C(OCC1=CC=CC=C1)C(=O)C |
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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Benzyloxyacetone (1-Benzyloxy-2-propanone) may be used in the synthesis of:7-benzyloxy-6-methyl-5-hepten-1-yne(Z)-2-methylhept-2-en-6-yn-1-o1(S)-(+)-1,2-propanediol, 1-benzyl etherIt may be used as a starting material in synthesizing (2S,4RS)-4-acetoxy-2-[(benzyloxy)methyl]-2-methyldioxolane and (2R,4RS)-4-acetoxy-2-[(benzyloxy)methyl]-2-methyldioxolane.