HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 17413Erstellt: 31. Oktober 2026
5,5'-Methylenedi-2,3-cresotic acid
AIDS030652 · 5,5'-Methylenebis(2-hydroxy-3-methylbenzoic acid) · Benzoic acid, 3,3'-methylenebis[6-hydroxy-5-methyl- · 5-[(3-carboxy-4-hydroxy-5-methyl-phenyl)methyl]-2-hydroxy-3-methyl-benzoic acid
https://huagongshe.com/de/chemical/17413
Identifikatoren & physikalische Daten
| CAS No. | 2581-36-4 |
|---|
| Summenformel | C17H16O6 |
|---|
| Durchschnittliche Molmasse | 316,3 g/mol |
|---|
| Monoisotopische Masse | 316,09468823 g/mol |
|---|
| SMILES | Cc1cc(Cc2cc(C)c(O)c(C(=O)O)c2)cc(C(=O)O)c1O |
|---|
| InChIKey | UPLNCYRSCVJILM-UHFFFAOYSA-N |
|---|
| PubChem CID | 17413 |
|---|
| ChEMBL | CHEMBL113835 |
|---|
| EC No. | 109-746-2 |
|---|
| DTXSID | DTXSID90180466 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|
| Polarare Oberfläche (TPSA) | 115 |
|---|
| H-Brücken-Donoren | 4 |
|---|
| H-Brücken-Akzeptoren | 6 |
|---|
| Frei drehbare Bindungen | 4 |
|---|
| Schwere Atome | 23 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 410 |
|---|
| Schmelzpunkt | 268 °C (decomp) |
|---|
| Siedepunkt | 560.4±50.0 °C(Predicted) |
|---|
| Dichte | 1.416±0.06 g/cm3(Predicted) |
|---|
| pKa (Säurekonstante) | 2.92±0.14(Predicted) |
|---|
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Eye Dam. 1 (100%) |
|---|
