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 |
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. |
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) |
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) |