HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Ethoxyphenol
NSC4875 · NSC 4875 · NSC-4875 · 3-ethoxy-pheno · M-ETHOXYPHENOL · 3-ETHOXYPHENOL · Phenol, m-ethoxy- · Phenol, 3-ethoxy-
Identifiers & Physical Properties
| CAS No. | 621-34-1 |
|---|---|
| Molecular formula | C8H10O2 |
| Average molar mass | 138.16 g/mol |
| Monoisotopic mass | 138.06807956 g/mol |
| SMILES | CCOc1cccc(O)c1 |
| InChIKey | VBIKLMJHBGFTPV-UHFFFAOYSA-N |
| PubChem CID | 69306 |
| ChEMBL | CHEMBL449241 |
| EC No. | 210-681-8 |
| DTXSID | DTXSID9060734 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 29.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 93.3 |
| Melting point | 28-31℃ |
| Boiling point | 131 °C (10 mmHg) |
| Density | 1.07 |
| Refractive index | 1.539-1.541 |
| Flash point | >93°C |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | powder to lump to clear liquid |
| pKa (acidity coefficient) | pK1:9.655 (25°C) |
| Color | White or Colorless to Light yellow to Light orange |
| Solubility | insoluble |
| Dielectric constant | 11.0(28℃) |
| LogP (partition coefficient) | 1.980 |
| CAS DataBase Reference | 621-34-1(CAS DataBase Reference) |
| FDA UNII | IKY4O3474A |
| NIST Chemistry Reference | 3-Ethoxyphenol(621-34-1) |
| EPA Substance Registry System | Phenol, 3-ethoxy- (621-34-1) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P305+P351+P338 |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38-36 |
| Safety statements (S) | 37/39-26 |
| TSCA inventory status | TSCA listed |
| Customs code | 2909500090 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| TSCA inventory status | TSCA listed |
| Customs code | 2909500090 |
| Risk statements (R) | 36/37/38-36 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 37/39-26 |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P305+P351+P338 |
Applications & Uses
Uses
3-Ethoxyphenol is a useful reactant and reagent for organic synthesis and reactions.