HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 77412Erstellt: 26. Oktober 2026
p-(Octyloxy)phenol
4-(N-OCTYLOXY)PHENOL · 4-Octoxyphenol · P-Octoxyphenol · 4-n-octoxyphenol · 4-OCTYLOXYPHENOL · P-(OCTYLOXY)PHENOL · 4-(octyloxy)-pheno · Phenol, 4-(octyloxy)-
https://huagongshe.com/de/chemical/77412
Identifikatoren & physikalische Daten
| CAS No. | 3780-50-5 |
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| Summenformel | C14H22O2 |
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| Durchschnittliche Molmasse | 222,32 g/mol |
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| Monoisotopische Masse | 222,16197994 g/mol |
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| SMILES | CCCCCCCCOc1ccc(O)cc1 |
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| InChIKey | HFRUPPHPJRZOCM-UHFFFAOYSA-N |
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| PubChem CID | 77412 |
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| EC No. | 223-243-6 |
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| DTXSID | DTXSID1063190 |
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| Lokaler Name | p-(Octyloxy)phenol |
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Chemische & physikalische Eigenschaften
| XLogP | 5,1 |
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| Polarare Oberfläche (TPSA) | 29,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 8 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 151 |
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| Schmelzpunkt | 80°C |
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| Siedepunkt | 127 °C / 3mmHg |
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| Dichte | 0.9906 (rough estimate) |
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| Brechungsindex | 1.4840 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 10.34±0.15(Predicted) |
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| Farbe | White to Light yellow to Light orange |
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| InChI | InChI=1S/C14H22O2/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h8-11,15H,2-7,12H2,1H3 |
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| InChIKey | HFRUPPHPJRZOCM-UHFFFAOYSA-N |
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| SMILES | C1(O)=CC=C(OCCCCCCCC)C=C1 |
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| CAS Datenbank | 3780-50-5(CAS DataBase Reference) |
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| EPA chemische Informationen | Phenol, 4-(octyloxy)- (3780-50-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 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 (16.7%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29095000 |
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| R-Sätze (R) | 36/37/38-36 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 37/39-26-37 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
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