HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethylhydrogenadipat
6-Ethoxy-6-oxohexanoic acid · ADIPIC ACID MONOETHYL ESTER · JACS-626-86-8 · Ethyladylinate · ETHYLADIPATEMONE · MONOETHYL ADIPATE · ETHYL ADIPATE MONO · Adipic acid monoethy
Identifikatoren & physikalische Daten
| CAS No. | 626-86-8 |
|---|---|
| Summenformel | C8H14O4 |
| Durchschnittliche Molmasse | 174,19 g/mol |
| Monoisotopische Masse | 174,08920893 g/mol |
| SMILES | CCOC(=O)CCCCC(=O)O |
| InChIKey | UZNLHJCCGYKCIL-UHFFFAOYSA-N |
| PubChem CID | 12295 |
| EC No. | 210-966-7 |
| DTXSID | DTXSID70862319 |
| Lokaler Name | Ethylhydrogenadipat |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 153 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 28-29 °C (lit.) |
| Siedepunkt | 180 °C/18 mmHg (lit.) |
| Dichte | 0.98 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.439(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | H2O: soluble50mg/mL, clear, colorlessSoluble in water. |
| pKa (Säurekonstante) | 4.69±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White |
| Wichte | 0.980 |
| Decomposition | 179-181 ºC |
| Stabilität | Stable. Incompatible with bases, reducing agents, oxidizing agents. |
| InChI | 1S/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10) |
| InChIKey | UZNLHJCCGYKCIL-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CCCCC(O)=O |
| LogP (Verteilungskoeffizient) | 0.910 |
| CAS Datenbank | 626-86-8(CAS DataBase Reference) |
| NIST chemische Informationen | Hexanedioic acid, monoethyl ester(626-86-8) |
| EPA chemische Informationen | Hexanedioic acid, monoethyl ester (626-86-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29171200 |
| RTECS-Nr. | AV2030000 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Adipic acid monoethyl ester is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.