HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methylhydrogenazelat
9-Methoxy-9-oxononanoic acid · Azelaic acid impurity 2 · MONOMETHYL NONANEDIOATE · NSC 60226 · Methyl nonmalonate · MONO-METHYL AZELATE · MonoMethyl Azelaate · Monomethyl Azelate >METHYL HYDROGEN AZELATE
Identifikatoren & physikalische Daten
| CAS No. | 2104-19-0 |
|---|---|
| Summenformel | C10H18O4 |
| Durchschnittliche Molmasse | 202,25 g/mol |
| Monoisotopische Masse | 202,12050906 g/mol |
| SMILES | COC(=O)CCCCCCCC(=O)O |
| InChIKey | VVWPSAPZUZXYCM-UHFFFAOYSA-N |
| PubChem CID | 75009 |
| EC No. | 218-275-2 |
| DTXSID | DTXSID10175253 |
| Lokaler Name | Methylhydrogenazelat |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 177 |
| Schmelzpunkt | 22-24 °C (lit.) |
| Siedepunkt | 159-160 °C/3 mmHg (lit.) |
| Dichte | 1.045 g/mL at 20 °C (lit.) |
| Brechungsindex | n20/D 1.446(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | Chloroform, DMSO (Slightly), Methanol (Slightly)Not miscible in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.77±0.10(Predicted) |
| Farbe | Colourless to Pale Yellow Oil |
| BRN | 1775786 |
| InChI | InChI=1S/C10H18O4/c1-14-10(13)8-6-4-2-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12) |
| InChIKey | VVWPSAPZUZXYCM-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)CCCCCCCC(O)=O |
| CAS Datenbank | 2104-19-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29171390 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Methyl hydrogen azelate is used as pharmaceutical intermediates.