HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 345110Erstellt: 27. Oktober 2026
4'-Hydroxyhexanophenone
p-Hydroxyhexanophenone · 4'-Hydroxycaprophenone · p-Hydroxyphenylhexanone · 4'-Hydroxyhexanophenone · 4'-Hydroxyhexanophenone>4'-HYDROXY-N-HEXANOPHENONE · Amyl 4-Hydroxyphenyl Ketone · 7-(4-hydroxyphenyl)heptanal · N-AMYL 4-HYDROXYPHENYL KETONE
https://huagongshe.com/de/chemical/345110
Identifikatoren & physikalische Daten
| CAS No. | 2589-72-2 |
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| Summenformel | C12H16O2 |
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| Durchschnittliche Molmasse | 192,25 g/mol |
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| Monoisotopische Masse | 192,11502975 g/mol |
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| SMILES | CCCCCC(=O)c1ccc(O)cc1 |
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| InChIKey | YDGNMJZDWLQUTE-UHFFFAOYSA-N |
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| PubChem CID | 345110 |
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| ChEMBL | CHEMBL214106 |
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| EC No. | 680-017-3 |
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| DTXSID | DTXSID60948797 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
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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 | 5 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 169 |
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| Schmelzpunkt | 63 °C |
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| Siedepunkt | 167 °C / 1mmHg |
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| Dichte | 1.036±0.06 g/cm3(Predicted) |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 8.22±0.15(Predicted) |
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| Farbe | White to Almost white |
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| CAS Datenbank | 2589-72-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]H412 (97.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.4%)Skin Sens. 1 (97.4%)Aquatic Chronic 3 (97.4%) |
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| Zollcode | 2914500090 |
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| R-Sätze (R) | 22-43-52 |
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| Gefahrensymbole | Xn |
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