PTAP
4-tert-Amylphenol
CAS: 80-46-6
Molecular Formula: C11H16O
PTAP - Names and Identifiers
| Name | 4-tert-Amylphenol |
| Synonyms | PTAP 4-t-Amylphenol p-t-Amylphenol 4-t-Pentylphenol 4-tert-Amylphenol p-tert-Amyl phenol p-tert-pentylphenol PARA-PENTYLPHENOLISOMERS 4-(2-Methyl-2-butyl)-phenol P-(1,1-dimethylpropyl)phenol 4-(1,1-dimethylpropyl)phenol 4-(1,1-Dimethylpropyl)phenol4-tert-Pentylphenol |
| CAS | 80-46-6 |
| EINECS | 201-280-9 |
| InChIKey | NRZWYNLTFLDQQX-UHFFFAOYSA-N |
PTAP - Physico-chemical Properties
| Molecular Formula | C11H16O |
| Molar Mass | 164.24 |
| Density | 0,96 g/cm3 |
| Melting Point | 88-89 °C (lit.) |
| Boling Point | 255 °C (lit.) |
| Flash Point | 111 °C |
| Water Solubility | 37 mg/L (20 ºC) |
| Solubility | H2O: insoluble |
| Vapor Presure | 5Pa at 20℃ |
| Appearance | Briquettes or Flakes To Coarse Powder |
| Color | White to pale yellow |
| Merck | 14,7142 |
| pKa | 10.24±0.26(Predicted) |
| Storage Condition | 2-8°C |
| Stability | Stable. Incompatible with acid chlorides, acid anhydrides, strong oxidizing agents. |
| Refractive Index | 1.5061 (estimate) |
| MDL | MFCD00002369 |
| Physical and Chemical Properties | White needle-like crystals. Melting point 94-95 ℃, boiling point 262.5 ℃, relative density 0.962(20/4 ℃). Soluble in alcohol, ether, benzene and chloroform, insoluble in water. |
PTAP - Risk and Safety
| Risk Codes | R21/22 - Harmful in contact with skin and if swallowed. R34 - Causes burns R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R43 - May cause sensitization by skin contact |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S27 - Take off immediately all contaminated clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 2430 8/PG 2 |
| WGK Germany | 2 |
| RTECS | SM6825000 |
| TSCA | Yes |
| HS Code | 29071990 |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | LD50 orally in rats: 3.08 g/kg (Smyth) |
PTAP - Reference Information
| LogP | 3.6 at 22℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | for organic synthesis. |
| production method | the reaction of tert-amyl alcohol and phenol in solvent petroleum ether with anhydrous aluminum chloride as catalyst, the temperature is controlled below 20 ℃, the obtained product was refined by distillation and recrystallization from petroleum ether with a yield of 80-90% |
| category | flammable solid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 1830 mg/kg; Skin-rabbit LD50: 2000 mg/kg |
| stimulation data | Skin-rabbits 0.1 mg/24 h moderate; eye-rabbit 500 mg severe |
| flammability hazard characteristics | flammable; Combustion-induced irritating smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| extinguishing agent | dry powder, water mist, carbon dioxide |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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