HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 89802Erstellt: 26. Oktober 2026
Methyl-6-hydroxy-m-toluat
METHYL 2-HYDROXY-5-METHYLBENZOATE · 5-METHYLSALICYLIC ACID METHYL ESTER · C9H10O3 · RARECHEM AL BF 0811 · Methyl-6-hydroxy-m-toluat · METHYL 5-METHYLSALICYLATE · methyl 6-hydroxy-m-toluate · Methyl5-Methylsalicylate>P-CRESOTIC ACID METHYL ESTER
https://huagongshe.com/de/chemical/89802
Identifikatoren & physikalische Daten
| CAS No. | 22717-57-3 |
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| Summenformel | C9H10O3 |
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| Durchschnittliche Molmasse | 166,17 g/mol |
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| Monoisotopische Masse | 166,06299418 g/mol |
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| SMILES | COC(=O)c1cc(C)ccc1O |
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| InChIKey | JQYUQKRFSSSGJM-UHFFFAOYSA-N |
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| PubChem CID | 89802 |
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| EC No. | 245-173-5 |
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| DTXSID | DTXSID0066822 |
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| Lokaler Name | Methyl-6-hydroxy-m-toluat |
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Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
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| Polarare Oberfläche (TPSA) | 46,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 167 |
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| Duftstoffe | Fragrance Ingredient (Benzoic acid, 2-hydroxy-5-methyl-, methyl ester) -> IFRA transparency List |
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| Schmelzpunkt | -1°C |
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| Siedepunkt | 241-243 °C767 mm Hg(lit.) |
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| Dichte | 1.153 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.533(lit.) |
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| Flammpunkt | 227 °F |
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| Lagerbedingungen | -20°C, Inert atmosphere |
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| Löslichkeit | Chloroform (Slightly), DMSO (Slightly) |
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| Aggregatzustand | Oil |
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| pKa (Säurekonstante) | 10.06±0.18(Predicted) |
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| Wichte | 1.15 |
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| Farbe | Colourless |
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| Geruch | at 100.00 %. minty fruity cherry leathery |
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| Geruchsart | minty |
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| LogP (Verteilungskoeffizient) | 3.157 (est) |
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| CAS Datenbank | 22717-57-3(CAS DataBase Reference) |
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| NIST chemische Informationen | Benzoic acid, 2-hydroxy-5-methyl-, methyl ester(22717-57-3) |
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| EPA chemische Informationen | Benzoic acid, 2-hydroxy-5-methyl-, methyl ester (22717-57-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.3%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1563 reports by companies from 6 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: Benzoic acid, 2-hydroxy-5-methyl-, methyl ester |
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| Hazard Classes and Categories | Acute Tox. 4 (97.3%) |
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| Wassergefährdungsklasse (WGK) | 2 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29182900 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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