HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 68475Erstellt: 26. Oktober 2026
4-Hydroxy-o-toluylsure
2-Methyl-4-hydroxybenzoic acid · 4-HYDROXY-2-METHYLBE · 4-hydroxy-o-toluic acid · 4-HYDROXY-2-METHYLBENZOIC ACID · 4-Hydroxy-2-methylbenzoicAcid>Benzoic acid, 4-hydroxy-2-Methyl- · 4-HYDROXY-2-METHYLBENZOIC ACID 98 · 4-Hydroxy-2-Methylbenzoic acid 98% · 4-Hydroxy-o-toluic acid, 4-Carboxy-m-cresol
https://huagongshe.com/de/chemical/68475
Identifikatoren & physikalische Daten
| CAS No. | 578-39-2 |
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| Summenformel | C8H8O3 |
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| Durchschnittliche Molmasse | 152,15 g/mol |
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| Monoisotopische Masse | 152,04734412 g/mol |
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| SMILES | Cc1cc(O)ccc1C(=O)O |
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| InChIKey | BBMFSGOFUHEVNP-UHFFFAOYSA-N |
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| PubChem CID | 68475 |
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| ChEMBL | CHEMBL4250257 |
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| ChEBI | CHEBI:167791 |
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| EC No. | 209-422-1 |
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| DTXSID | DTXSID10206490 |
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| Lokaler Name | 4-Hydroxy-o-toluylsure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 57,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 155 |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Schmelzpunkt | 177-181 °C |
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| Siedepunkt | 339.1±30.0 °C(Predicted) |
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| Dichte | 1.304±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 4.46±0.25(Predicted) |
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| Farbe | White to Light yellow to Light orange |
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| InChI | InChI=1S/C8H8O3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3,(H,10,11) |
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| InChIKey | BBMFSGOFUHEVNP-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C1=CC=C(O)C=C1C |
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| CAS Datenbank | 578-39-2 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P354+P338, P317, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 2 |
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| Zollcode | 29182900 |
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| R-Sätze (R) | 22-41 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-39 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1 |
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