HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Hydroxyphenylacetaldehyde
4-HYDROXYPHENYLACETALDEHYDE · P-HYDROXYPHENYLACETALDEHYDE · AKOS BB-9813 · 4-(2-Oxoethyl)phenol · Atenolol Impurity 18 · 4-Hydroxy phenylacet dehyde · 4-Hydroxybenzeneacetaldehyde · 2-(4-YDROXYPHENYL)ACETALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 7339-87-9 |
|---|---|
| Summenformel | C8H8O2 |
| Durchschnittliche Molmasse | 136,15 g/mol |
| Monoisotopische Masse | 136,0524295 g/mol |
| SMILES | O=CCc1ccc(O)cc1 |
| InChIKey | IPRPPFIAVHPVJH-UHFFFAOYSA-N |
| PubChem CID | 440113 |
| ChEBI | CHEBI:15621 |
| EC No. | 689-849-1 |
| DTXSID | DTXSID00223631 |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 104 |
| LogP (Verteilungskoeffizient) | 1.379 |
| Physical Description | Solid |
| Schmelzpunkt | 118℃ |
| Siedepunkt | 281.4±15.0℃ (760 Torr) |
| Dichte | 1.153±0.06 g/cm3 (20 ºC 760 Torr) |
| Flammpunkt | 117.9±13.0℃ |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 9.93±0.15(Predicted) |
| Farbe | Clear, colourless to yellow |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 2912290090 |
| Gefahrensymbole | Xi |
Anwendungen & Verwendung
Verwenden
An intermediate in the metabolic pathway in yeast. This compound contains p-Hydroxybenzaldehyde.