HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Methoxy-1-phenylethanone
2-methoxy-1-phenylethan-1-one · 2-Methoxyacetophenone · 1-METHOXYACETOPHENONE · ALPHA-METHOXY ACETOPHENONE · (Methoxymethyl)phenyl ketone · Ethanone, 2-Methoxy-1-phenyl-
Identifiers & Physical Properties
| CAS No. | 4079-52-1 |
|---|---|
| Molecular formula | C9H10O2 |
| Average molar mass | 150.17 g/mol |
| Monoisotopic mass | 150.06807956 g/mol |
| SMILES | COCC(=O)c1ccccc1 |
| InChIKey | YRNDGUSDBCARGC-UHFFFAOYSA-N |
| PubChem CID | 77698 |
| ChEBI | CHEBI:52400 |
| EC No. | 223-802-4 |
| DTXSID | DTXSID90193778 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 126 |
| Melting point | 7-8 °C (lit.) |
| Boiling point | 122-123 °C/18 mmHg (lit.) |
| Density | 1.09 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.5365(lit.) |
| Flash point | 215 °F |
| Storage conditions | Inert atmosphere,Room Temperature |
| Physical state | liquid |
| Specific gravity | 1.090 |
| Appearance | Colorless to light yellow Liquid |
| InChI | 1S/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey | YRNDGUSDBCARGC-UHFFFAOYSA-N |
| SMILES | COCC(=O)c1ccccc1 |
| CAS DataBase Reference | 4079-52-1(CAS DataBase Reference) |
| FDA UNII | Y4V7A57H8F |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Personal protective equipment (PPE) | Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | WarningH315 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
2-Methoxy-1-phenylethan-1-one is used as a reactant in the preparation of diarylpyrazoles as cyclooxygenase 2 inhibitors.