HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 81791Erstellt: 27. Oktober 2026
4-Methylhydrogen-2-methylensuccinat
4-Methoxy-2-Methylene-4-oxobutanoic acid · C6H8O4 · METHYL ITACONATE · 4-METHYL ITACONATE · MONOMETHYL ITACONATE · METHYL ACID ITACONATE · BETA-METHYL ITACONATE · Methyl itaconate, 98 %
https://huagongshe.com/de/chemical/81791
Identifikatoren & physikalische Daten
| CAS No. | 26248-95-3 |
|---|
| Summenformel | C6H8O4 |
|---|
| Durchschnittliche Molmasse | 144,12 g/mol |
|---|
| Monoisotopische Masse | 144,04225873 g/mol |
|---|
| SMILES | C=C(CC(=O)OC)C(=O)O |
|---|
| InChIKey | OIYTYGOUZOARSH-UHFFFAOYSA-N |
|---|
| PubChem CID | 81791 |
|---|
| ChEMBL | CHEMBL6169658 |
|---|
| EC No. | 230-853-6 |
|---|
| DTXSID | DTXSID20223618 |
|---|
| Lokaler Name | 4-Methylhydrogen-2-methylensuccinat |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|
| Polarare Oberfläche (TPSA) | 63,6 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 4 |
|---|
| Schwere Atome | 10 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 171 |
|---|
| Schmelzpunkt | 72°C |
|---|
| Siedepunkt | 149 °C / 10mmHg |
|---|
| Dichte | 1.195±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
|---|
| Löslichkeit | soluble in Methanol |
|---|
| Aggregatzustand | powder to crystal |
|---|
| pKa (Säurekonstante) | 3.59±0.10(Predicted) |
|---|
| Farbe | White to Almost white |
|---|
| InChI | InChI=1S/C6H8O4/c1-4(6(8)9)3-5(7)10-2/h1,3H2,2H3,(H,8,9) |
|---|
| InChIKey | OIYTYGOUZOARSH-UHFFFAOYSA-N |
|---|
| SMILES | C(O)(=O)C(=C)CC(OC)=O |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH318 (93%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|
| Hazard Classes and Categories | Eye Dam. 1 (93%) |
|---|
| Zollcode | 2917198090 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Sicherheitshinweise (S) | 26-36/37/39 |
|---|
