HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(Dodecyloxy)benzoic acid
RARECHEM AL BE 0564 · TIMTEC-BB SBB008006 · 4-dodecoxybenzoicaci · 4-Dodecoxybenzoic acid · 4-DODECYLOXYBENZOIC ACID · 4-N-DODECYLOXYBENZOIC ACID · P-(DODECYLOXY)BENZOIC ACID · para-Dodecyloxybenzoic acid
Identifikatoren & physikalische Daten
| CAS No. | 2312-15-4 |
|---|---|
| Summenformel | C19H30O3 |
| Durchschnittliche Molmasse | 306,4 g/mol |
| Monoisotopische Masse | 306,21949482 g/mol |
| SMILES | CCCCCCCCCCCCOc1ccc(C(=O)O)cc1 |
| InChIKey | ALQLYJHDBAKLBB-UHFFFAOYSA-N |
| PubChem CID | 75330 |
| ChEMBL | CHEMBL3273778 |
| EC No. | 219-004-0 |
| DTXSID | DTXSID40177689 |
Chemische & physikalische Eigenschaften
| XLogP | 7,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 13 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 270 |
| SpringerMaterials Properties | Chemical diffusion |
| Schmelzpunkt | 132-137 °C |
| Siedepunkt | 407.04°C (rough estimate) |
| Dichte | 1.0139 (rough estimate) |
| Brechungsindex | 1.5490 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 4.48±0.10(Predicted) |
| Farbe | White to Almost white |
| Löslichkeit | Insoluble in water. Soluble in N,N-Dimethylformamide. |
| BRN | 2215914 |
| InChI | 1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-18-14-12-17(13-15-18)19(20)21/h12-15H,2-11,16H2,1H3,(H,20,21) |
| InChIKey | ALQLYJHDBAKLBB-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCOc1ccc(cc1)C(O)=O |
| CAS Datenbank | 2312-15-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoic acid, 4-(dodecyloxy)-(2312-15-4) |
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 7 reports by companies from 4 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) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-n-Dodecyloxybenzoic acid is used as an organic chemical synthesis intermediate.