HuagongsheHuagongshe Chemistry Print Report · For research reference only
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
Identifiers & Physical Properties
| CAS No. | 7339-87-9 |
|---|---|
| Molecular formula | C8H8O2 |
| Average molar mass | 136.15 g/mol |
| Monoisotopic mass | 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 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 104 |
| LogP (partition coefficient) | 1.379 |
| Physical Description | Solid |
| Melting point | 118℃ |
| Boiling point | 281.4±15.0℃ (760 Torr) |
| Density | 1.153±0.06 g/cm3 (20 ºC 760 Torr) |
| Flash point | 117.9±13.0℃ |
| Storage conditions | Inert atmosphere,Store in freezer, under -20°C |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| pKa (acidity coefficient) | 9.93±0.15(Predicted) |
| Physical state | liquid |
| Color | Clear, colourless to yellow |
| FDA UNII | HDJ7B4KB3X |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Hazard symbols | Xi |
| Customs code | 2912290090 |
Safety & Regulations
| GHS classification | 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%) |
| Customs code | 2912290090 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
An intermediate in the metabolic pathway in yeast. This compound contains p-Hydroxybenzaldehyde.