HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 22013Erstellt: 3. November 2026
2,4,5-Trimethylbenzaldehyde
Duraldehyde · Trimethylbenzaldehyde · duryl aldehyde · 2,4,5-TRIMETHYLBENZALDEHYDE · Benzaldehyde, 2,4,5-trimethyl- · 2,4,5-Trimethylbenzaldehyde 90% · 2,4,5-TRIMETHYLBENZALDEHYDE 97+%
https://huagongshe.com/de/chemical/22013
Identifikatoren & physikalische Daten
| CAS No. | 5779-72-6 |
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| Summenformel | C10H12O |
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| Durchschnittliche Molmasse | 148,2 g/mol |
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| Monoisotopische Masse | 148,088815 g/mol |
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| SMILES | Cc1cc(C)c(C=O)cc1C |
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| InChIKey | LROJZZICACKNJL-UHFFFAOYSA-N |
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| PubChem CID | 22013 |
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| ChEBI | CHEBI:192931 |
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| EC No. | 678-621-7 |
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| DTXSID | DTXSID80206482 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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| Polarare Oberfläche (TPSA) | 17,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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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 | 142 |
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| Schmelzpunkt | 43.5 °C41-46 °C (lit.) |
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| Physical Description | Solid |
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| Siedepunkt | 243°C |
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| Dichte | 0.988±0.06 g/cm3(Predicted) |
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| Flammpunkt | 230 °F |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to lump to clear liquid |
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| Farbe | White or Colorless to Light yellow |
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| Merck | 14,9839 |
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| InChI | 1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3 |
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| InChIKey | LROJZZICACKNJL-UHFFFAOYSA-N |
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| SMILES | [H]C(=O)c1cc(C)c(C)cc1C |
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| LogP (Verteilungskoeffizient) | 3.020 (est) |
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| CAS Datenbank | 5779-72-6(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 40 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 | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2912290090 |
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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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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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