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(Benzyloxy)acetic acid
2-(benzyloxy)acetic acid · oxy)acetic acid · RARECHEM AL BE 0628 · BENZYLOXYACETIC ACID · benzyloxy acctic acid · BenzyloxyaceticAcid>Benzyloxyacetic acid 95% · PHENYLMETHOXY ACETIC ACID · Benzyloxyacetic acid, 95%,
Identifikatoren & physikalische Daten
| CAS No. | 30379-55-6 |
|---|---|
| Summenformel | C9H10O3 |
| Durchschnittliche Molmasse | 166,17 g/mol |
| Monoisotopische Masse | 166,06299418 g/mol |
| SMILES | O=C(O)COCc1ccccc1 |
| InChIKey | GRZHHTYDZVRPIC-UHFFFAOYSA-N |
| PubChem CID | 290301 |
| ChEMBL | CHEMBL3247413 |
| ChEBI | CHEBI:180539 |
| EC No. | 608-470-4 |
| DTXSID | DTXSID30952720 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 139 |
| Schmelzpunkt | 80-81 °C |
| Siedepunkt | 137-139 °C/0.6 mmHg (lit.) |
| Dichte | 1.162 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.526(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 3.52±0.10(Predicted) |
| Farbe | Colorless to Light orange to Yellow |
| InChI | InChI=1S/C9H10O3/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) |
| InChIKey | GRZHHTYDZVRPIC-UHFFFAOYSA-N |
| SMILES | C(O)(=O)COCC1=CC=CC=C1 |
| CAS Datenbank | 30379-55-6(CAS DataBase Reference) |
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 46 reports by companies from 7 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 |
| Zollcode | 29189900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Benzyloxyacetic acid may be used for the following syntheses:mixed benzyloxyacetic pivalic anhydridechiral glycolates, 1,2:4,5-di-O-isopropylidene-β-D-fructopyranos-3-yl benzyloxyacetate, via esterificationtetraaqua(1,10-phenanthroline-[κ]2N,N′)magnesium(II) bis[(2,4-dichlorophenyl)acetate]as ligand in the preparation of diaquabis(benzyloxyacetato)copper(II) complex