HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(Benzyloxy)butanoic acid
KML-24 · CML-009 · 4-BENZYLOXYBUTYRIC ACID · 4-Benzyloxybutyric acid 95% · 4-(Phenylmethoxy)butanoic acid · Butanoic acid,4-(phenylMethoxy)-
Identifikatoren & physikalische Daten
| CAS No. | 10385-30-5 |
|---|---|
| Summenformel | C11H14O3 |
| Durchschnittliche Molmasse | 194,23 g/mol |
| Monoisotopische Masse | 194,09429431 g/mol |
| SMILES | O=C(O)CCCOCc1ccccc1 |
| InChIKey | CXEFZVVLTJQWBF-UHFFFAOYSA-N |
| PubChem CID | 562201 |
| EC No. | 628-164-4 |
| DTXSID | DTXSID30340163 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 162 |
| Siedepunkt | 135 °C/0.3 mmHg (lit.) |
| Dichte | 1.097 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.512(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 4.63±0.10(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Colourless to Pale Yellow |
| InChI | InChI=1S/C11H14O3/c12-11(13)7-4-8-14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,12,13) |
| InChIKey | CXEFZVVLTJQWBF-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCOCC1=CC=CC=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrenklasse | Eye Dam. 1Skin Corr. 1B |
Anwendungen & Verwendung
Verwenden
4-Benzyloxybutyric acid may be used in the synthesis of benzyloxybutyryl (BOB) esters of alcohols by standard acylation techniques or by the Jacobsen asymmetric nucleophilic ring opening of epoxides.