HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid
SALOR-INT L130796-1EA · 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid · 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid 97% · Benzenepropanoic acid, 2-(acetyloxy)-β,β,4,6-tetramethyl- · 3-(2'-acetoxy-4',6'-dimethylphenyl)-3,3-dimethylpropanoic acid
Identifikatoren & physikalische Daten
| CAS No. | 134098-68-3 |
|---|---|
| Summenformel | C15H20O4 |
| Durchschnittliche Molmasse | 264,32 g/mol |
| Monoisotopische Masse | 264,13615911 g/mol |
| SMILES | CC(=O)Oc1cc(C)cc(C)c1C(C)(C)CC(=O)O |
| InChIKey | IRUYOPOSEOEWIN-UHFFFAOYSA-N |
| PubChem CID | 4645809 |
| EC No. | 694-482-5 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 348 |
| Schmelzpunkt | 113-118°C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | solid |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (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. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1 / PGIII |
| R-Sätze (R) | 25-36 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-45 |
Anwendungen & Verwendung
Verwenden
Used as a trimethyl lock in stable chromogenic substrates for esterases