2-Allylphenol
- CAS NO.：1745-81-9
- Empirical Formula: C9H10O
- Molecular Weight: 134.18
- MDL number: MFCD00002250
- EINECS: 217-119-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-19 23:02:33
What is 2-Allylphenol?
Chemical properties
clear colourless to light yellow liquid
The Uses of 2-Allylphenol
2-Allylphenol is an protected intermediate in the synthesis of metabolites of Diclofenac (D436450), a nonsteroidal anti-inflammatory compound an decycloxygenase (COX) inhibitor.
Definition
ChEBI: A member of the class of phenols that is phenol carrying an allyl group at position 2.
Synthesis Reference(s)
Synthesis, p. 310, 1981 DOI: 10.1055/s-1981-29431
Tetrahedron Letters, 35, p. 1409, 1994 DOI: 10.1016/S0040-4039(00)76231-9
Properties of 2-Allylphenol
| Melting point: | -6 °C |
| Boiling point: | 220 °C (lit.) |
| Density | 1.028 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 192 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | 7 g/L (20°C) |
| form | Oil |
| pka | pK1: 10.28 (25°C) |
| color | Colourless |
| PH | 6-7 (100g/l, H2O, 20℃) |
| Water Solubility | 7 g/L (20 ºC) |
| BRN | 742121 |
| CAS DataBase Reference | 1745-81-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Phenol, 2-(2-propenyl)-(1745-81-9) |
| EPA Substance Registry System | Phenol, 2-(2-propenyl)- (1745-81-9) |
Safety information for 2-Allylphenol
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2-Allylphenol
| InChIKey | QIRNGVVZBINFMX-UHFFFAOYSA-N |
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