2589-71-1
4-Pentanoylphenol
CAS: 2589-71-1
Molecular Formula: C11H14O2
2589-71-1 - Names and Identifiers
| Name | 4-Pentanoylphenol |
| Synonyms | p-Valerylphenol 4-Pentanoylphenol p-Hydroxyvalerophenone P-HYDROXYVALEROPHENONE 4-Hydroxyvalerophenone 4-HYDROXYVALEROPHENONE 4'-HYDROXYVALEROPHENONE 4'-Hydroxyvalerophenone 4'-HYDROXYPENTANOPHENONE Valerophenone, 4'-hydroxy- 1-(4-hydroxyphenyl)-1-pentanon 4-hydroxy-1-phenylpentan-1-one 1-(4-Hydroxyphenyl)-1-pentanone 1-(4-hydroxyphenyl)pentan-1-one |
| CAS | 2589-71-1 |
| EINECS | 219-978-7 |
| InChI | InChI=1/C11H14O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3 |
2589-71-1 - Physico-chemical Properties
| Molecular Formula | C11H14O2 |
| Molar Mass | 178.23 |
| Density | 1.0292 (rough estimate) |
| Melting Point | 62-65 °C |
| Boling Point | 182-183°C/3mmHg(lit.) |
| Flash Point | 134.7°C |
| Vapor Presure | 0.000158mmHg at 25°C |
| Appearance | White to bright light brown powder |
| Color | White to Orange to Green |
| pKa | 8.13±0.15(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5390 (estimate) |
| MDL | MFCD00009719 |
| Physical and Chemical Properties | White crystals. Melting point 60-62 °c. |
| Use | Used as liquid crystal raw materials and intermediates |
2589-71-1 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| HS Code | 29182900 |
2589-71-1 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Overview | p-hydroxybenzophenone, also known as 4-n-pentanoyl phenol, is an organic intermediate and pharmaceutical intermediate that can be used to prepare acyl phenoxyacetic acid compounds. It can be prepared from phenol and n-valeryl chloride in one step. |
| preparation | add phenol (0.94g,10mmol) to a 50mL three-mouth flask, ice bath to 0°C, add 10mL(114mmol) of trifluoromethane sulfonic acid and 10.9mmol of n-valeryl chloride under N2 condition, react at 0°C for 1 hour, remove the ice bath, and then react at normal temperature for 1 hour, add ice water, extraction with ethyl acetate (40mL × 3), combining organic phase, washing with 1N hydrochloric acid solution (30mL × 2), saturated sodium bicarbonate (30mL × 3), saturated salt water (30mL × 3), drying with anhydrous magnesium sulfate, filtering, removing solvent with rotary evaporator, column chromatography purification (petroleum ether: ethyl acetate = 5:1) to obtain p-hydroxybenzoone. |
| Use | Used as liquid crystal raw material and intermediate |
Last Update：2024-04-10 22:29:15
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