HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Mercapto-2-methylpropionsure
2-MERCAPTO-2-METHYLPROPANOIC ACID · 2-THIOISOBUTYRIC ACID · 2-Mercaptoisobutyric acid · 2-mercapto-2-methylpropionicacid · 2-mercapto-2-methyl-propanoicaci · 2-methyl-2-sulfanylpropanoic acid · 2-methyl-2-sulfanyl-propanoic acid · Propanoic acid, 2-mercapto-2-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 4695-31-2 |
|---|---|
| Summenformel | C4H8O2S |
| Durchschnittliche Molmasse | 120,17 g/mol |
| Monoisotopische Masse | 120,02450067 g/mol |
| SMILES | CC(C)(S)C(=O)O |
| InChIKey | JTMBCYAUSCBSEY-UHFFFAOYSA-N |
| PubChem CID | 78421 |
| EC No. | 225-159-5 |
| DTXSID | DTXSID6063561 |
| Lokaler Name | 2-Mercapto-2-methylpropionsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 87 |
| Schmelzpunkt | 59-64°C |
| Siedepunkt | 194.19°C (rough estimate) |
| Dichte | 1.143 (estimate) |
| Brechungsindex | 1.4782 (estimate) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Sparingly), Methanol (Sparingly) |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 3.73±0.10(Predicted) |
| Farbe | White to Pale Yellow Semi-Solid |
| EPA chemische Informationen | 2-Mercaptoisobutyric acid (4695-31-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH318 (100%): 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 40 reports by companies from 2 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 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 41 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-39 |
Anwendungen & Verwendung
Verwenden
2-Mercaptoisobutyric Acid, 90% (cas# 4695-31-2) is a compound useful in organic synthesis.