HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 22741Erstellt: 27. Oktober 2026
4-Phenoxybutyric acid
AURORA 4256 · 4-Phenoxybutyr · AKOS BBS-00007709 · 4-phenoxy-butyricaci · 4-Phenoxybutric acid · OTAVA-BB BB0109160009 · 4-PHENOXYBUTYRIC ACID · 4-PHENOXYBUTANOIC ACID
https://huagongshe.com/de/chemical/22741
Identifikatoren & physikalische Daten
| CAS No. | 38669-42-0 |
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| Summenformel | C10H12O3 |
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| Durchschnittliche Molmasse | 180,2 g/mol |
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| Monoisotopische Masse | 180,07864424 g/mol |
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| SMILES | O=C(O)CCCOc1ccccc1 |
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| InChIKey | YKYVPFIBWVQZCE-UHFFFAOYSA-N |
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| PubChem CID | 22741 |
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| ChEMBL | CHEMBL190723 |
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| EC No. | 228-603-6 |
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| DTXSID | DTXSID40959508 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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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 | 5 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 150 |
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| Schmelzpunkt | 63-65 °C |
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| Siedepunkt | 170 °C / 7mmHg |
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| Dichte | 1.143±0.06 g/cm3(Predicted) |
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| Löslichkeit | ethanol: 0.1 g/mL, clear |
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| pKa (Säurekonstante) | 4.56±0.10(Predicted) |
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| Aggregatzustand | powder to crystaline |
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| Farbe | White to Yellow to Orange |
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| BRN | 1640610 |
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| InChI | 1S/C10H12O3/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) |
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| InChIKey | YKYVPFIBWVQZCE-UHFFFAOYSA-N |
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| SMILES | OC(=O)CCCOc1ccccc1 |
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| CAS Datenbank | 6303-58-8(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (3 of 9) of reports.WarningH315 (66.7%): 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 9 reports by companies from 4 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 (66.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2918.29.7500 |
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| RTECS-Nr. | ET5956300 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 22-24/25 |
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| Gefahrenklasse | IRRITANT |
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| Lagerklasse | 11 - Combustible Solids |
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