HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 68138Erstellt: 27. Oktober 2026
4-Hydroxy-m-toluylsure
4,3-Cresoticacid · AKOS BBS-00004298 · RARECHEM AL BE 0693 · 4-HYDROXY-3-METHYLBE · 4-Hydroxy-m-toluicacid · 3-Methyl-4-hydroxybenzoic acid · 4-HYDROXY-3-METHYLBENZOIC ACID · 4-Hydroxy-3-methylbenzoicAcid>Benzoic acid, 4-hydroxy-3-Methyl-
https://huagongshe.com/de/chemical/68138
Identifikatoren & physikalische Daten
| CAS No. | 499-76-3 |
|---|
| Summenformel | C8H8O3 |
|---|
| Durchschnittliche Molmasse | 152,15 g/mol |
|---|
| Monoisotopische Masse | 152,04734412 g/mol |
|---|
| SMILES | Cc1cc(C(=O)O)ccc1O |
|---|
| InChIKey | LTFHNKUKQYVHDX-UHFFFAOYSA-N |
|---|
| PubChem CID | 68138 |
|---|
| ChEBI | CHEBI:85239 |
|---|
| EC No. | 207-890-1 |
|---|
| DTXSID | DTXSID50198148 |
|---|
| Lokaler Name | 4-Hydroxy-m-toluylsure |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|
| Polarare Oberfläche (TPSA) | 57,5 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 11 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 155 |
|---|
| Löslichkeit | 11.6 mg/mL at 100 °Csoluble in Methanol |
|---|
| Endocrine Disruptors | Potential endocrine disrupting compound |
|---|
| Physical Description | Solid |
|---|
| Schmelzpunkt | 173-177 °C |
|---|
| Siedepunkt | 112 °C(Press: 1 Torr) |
|---|
| Dichte | 1.304±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | Inert atmosphere,Room Temperature |
|---|
| Aggregatzustand | powder to crystal |
|---|
| pKa (Säurekonstante) | 4+-.0.10(Predicted) |
|---|
| Farbe | Light yellow to Yellow to Orange |
|---|
| InChI | 1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11) |
|---|
| InChIKey | LTFHNKUKQYVHDX-UHFFFAOYSA-N |
|---|
| SMILES | Cc1cc(ccc1O)C(O)=O |
|---|
| CAS Datenbank | 499-76-3(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (87%) |
|---|
| Wassergefährdungsklasse (WGK) | 2 |
|---|
| Zollcode | 29182900 |
|---|
| R-Sätze (R) | 22-37/38-41 |
|---|
| Gefahrensymbole | Xn,Xi |
|---|
| Sicherheitshinweise (S) | 26-36/39-36 |
|---|
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
