HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 458185Erstellt: 27. Oktober 2026
4-Hydroxy-2-methylbenzaldehyde
5'-Ethylpropiophenone · 4-HYDROXY-2-METHYLBENZALDEHYDE · Benzaldehyde, 4-hydroxy-2-methyl- · 4-Hydroxy-2-methylbenzenecarbaldehyde · 4-Hydroxy-o-tolualdehyde. m-Cresol-4-aldehyde. 4,2
https://huagongshe.com/de/chemical/458185
Identifikatoren & physikalische Daten
| CAS No. | 41438-18-0 |
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| Summenformel | C8H8O2 |
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| Durchschnittliche Molmasse | 136,15 g/mol |
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| Monoisotopische Masse | 136,0524295 g/mol |
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| SMILES | Cc1cc(O)ccc1C=O |
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| InChIKey | JDWWIEFMFPWBST-UHFFFAOYSA-N |
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| PubChem CID | 458185 |
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| EC No. | 676-200-2 |
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| DTXSID | DTXSID10332480 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 122 |
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| Schmelzpunkt | 104-107°C |
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| Siedepunkt | 205-207 °C(Press: 18 Torr) |
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| Dichte | 1.175±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 7.89±0.18(Predicted) |
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| InChI | 1S/C8H8O2/c1-6-4-8(10)3-2-7(6)5-9/h2-5,10H,1H3 |
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| InChIKey | JDWWIEFMFPWBST-UHFFFAOYSA-N |
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| SMILES | Cc1cc(O)ccc1C=O |
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| CAS Datenbank | 41438-18-0(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2914500090 |
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| R-Sätze (R) | 36/37/38-52-41-37/38 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 26-36/37/39-39 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Dam. 1 |
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