O-CUMENOL
2-Isopropylphenol
CAS: 88-69-7
Molecular Formula: C9H12O
O-CUMENOL - Names and Identifiers
| Name | 2-Isopropylphenol |
| Synonyms | OIPP O-CUMENOL FEMA 3461 o-Cumenol prodox131 Prodox 131 o-Hydroxycumene O-ISOPROPYLPHENOL 2-Isopropylphenol Phenol,o-isopropyl- 2-(propan-2-yl)phenol ORTHO-ISO-PROPYLPHENOL |
| CAS | 88-69-7 |
| EINECS | 201-852-8 |
| InChI | InChI=1/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3 |
| InChIKey | CRBJBYGJVIBWIY-UHFFFAOYSA-N |
O-CUMENOL - Physico-chemical Properties
| Molecular Formula | C9H12O |
| Molar Mass | 136.19 |
| Density | 1.012 g/mL at 25 °C (lit.) |
| Melting Point | 12-16 °C (lit.) |
| Boling Point | 212-213 °C (lit.) |
| Flash Point | 192°F |
| JECFA Number | 697 |
| Water Solubility | insoluble |
| Solubility | insoluble |
| Vapor Presure | <0.05 mm Hg ( 25 °C) |
| Appearance | Liquid |
| Color | Clear slightly yellow |
| BRN | 1363322 |
| pKa | 10.49±0.10(Predicted) |
| Storage Condition | Store below +30°C. |
| Refractive Index | n20/D 1.526(lit.) |
| Physical and Chemical Properties | O-isopropyl phenol is liquid at room temperature, M.P. 15~16 ℃, B. p. 213~214 ℃,n20D 1.5315, relative density 1.012(20/4 ℃), F. P. 88 C, soluble in benzene, ether, alcohol. |
| Use | Mainly used for the synthesis of isoprocarb |
O-CUMENOL - Risk and Safety
| Risk Codes | R34 - Causes burns R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 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.) S28 - After contact with skin, wash immediately with plenty of soap-suds. |
| UN IDs | UN 3145 8/PG 2 |
| WGK Germany | 3 |
| RTECS | SL5900000 |
| TSCA | Yes |
| HS Code | 29071900 |
| Hazard Class | 8 |
| Packing Group | II |
O-CUMENOL - Reference Information
| FEMA | 3461 | 2-ISOPROPYLPHENOL |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): meat product 3.0; Condiment 2.0. |
| Use | O-isopropyl phenol is an intermediate for the synthesis of isoprocarb. This product is a key intermediate of carbamate insecticide Phytophthora. mainly used for synthesis of isoprocarb |
| production method | results from the alkylation of phenol with propylene. The molten phenol was added to the reaction pot, and the temperature was raised to about 100 ° C. With stirring, and the molar ratio of phenol to aluminum was 1:0.0065-0.01, the aluminum into phenol, continue to warm up to 165-170 deg C, reaction for half an hour, that is, phenol aluminum phenol solution. The phenol solution of aluminum phenolate was put into an autoclave, and the temperature was raised to 235 ° C. With stirring, and liquid propylene was added so that the molar ratio of phenol to propylene was maintained at 1:0.65. The reaction was carried out at 235-250 ° C. Under a pressure of 1.3-1. 6mpa for 1H. After the reactants were cooled, they were subjected to primary distillation and rectification to collect phenol fraction and product fraction, and the bottom residue was polyalkylphenol. The phenol conversion was about 50%, and the one-way yield of O-isopropyl phenol was 38-39%, and the one-way yield of 2, 6-diisopropyl phenol was 10-11%. 2,6-diisopropyl phenol and phenol in a molar ratio of 1:3, at about 295 deg C for 2H, in the reaction, the amount of catalyst aluminum phenolate is 5-6 wt%, and about 75% of the 2, 6-diisopropyl phenol is converted, Of these, 90% were converted to O-isopropyl phenol. O-isopropyl phenol is derived from the alkylation of phenol with propylene. The molten phenol is added into the reaction pan, and the temperature is raised to about 100 ° C. With stirring. According to the molar ratio of phenol to aluminum of 1: 0.0065~0.01, the aluminum dust is put into phenol, the temperature was raised to 165-170 ℃, and the reaction was continued for 0.5h to obtain phenol solution of phenol aluminum. Put the phenol solution containing 3% phenolic aluminum into the autoclave, raise the temperature to 200 ℃ with stirring, and then inject the dried liquid propylene for alkylation reaction, and control the pressure in the autoclave to be 1.3-1.4 MPa, the temperature was 235-250 ℃, and the reaction solution was obtained by continuing stirring for 20min after passing propylene. The single-pass conversion rate of phenol is controlled at about 50%, and the selectivity of O-isopropyl phenol can reach 80%. If the single-pass conversion rate of phenol is increased, the by-products 2, 6-diisopropyl phenol and polyalkylphenol will increase, the yield was decreased, and the post-treatment was troublesome. |
| category | corrosive article |
| toxicity grade | poisoning |
| Acute toxicity | intravenous-mouse LD50: 100 mg/kg |
| explosive hazard characteristics | corrosive to skin and cornea |
| flammability hazard characteristics | combustible; Thermal decomposition stimulus gas |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant. |
| fire extinguishing agent | Sand, dry powder, foam, carbon dioxide |
Last Update：2024-04-09 02:00:12
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