alpha,alpha-Dimethyl-benzylalcohol
2-Phenyl-2-propanol
CAS: 617-94-7
Molecular Formula: C9H12O
alpha,alpha-Dimethyl-benzylalcohol - Names and Identifiers
| Name | 2-Phenyl-2-propanol |
| Synonyms | 2-Phenyl-2-propanol 2-phenyl-propan-2-ol 2-Propanol, 2-phenyl- 1-Phenyl-1-methylethanol Dimethyl phenyl carbinol alpha,alpha-dimethyl-benzylalcoho alpha,alpha-Dimethyl-benzylalcohol alpha,alpha-dimethyl-benzenemethano alpha,alpha-Dimethylbenzenemethanol Benzyl alcohol, alpha,alpha-dimethyl- 2-Phenyl-2-propanol (2-Phenylisoprapanol) |
| CAS | 617-94-7 |
| EINECS | 210-539-5 |
| InChI | InChI=1/C9H14O/c1-8(2)9(10)6-4-3-5-7-9/h3-6,8,10H,7H2,1-2H3 |
alpha,alpha-Dimethyl-benzylalcohol - Physico-chemical Properties
| Molecular Formula | C9H12O |
| Molar Mass | 136.19 |
| Density | 0.973 g/mL at 25 °C (lit.) |
| Melting Point | 28-32 °C (lit.) |
| Boling Point | 202 °C (lit.) |
| Flash Point | 190°F |
| Water Solubility | Insoluble in water. |
| Solubility | Chloroform, Methanol (Slightly) |
| Vapor Presure | 23Pa at 20℃ |
| Appearance | Liquid After Melting |
| Color | Clear colorless to light yellow |
| BRN | 1905012 |
| pKa | 14.49±0.29(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.5196(lit.) |
| MDL | MFCD00004456 |
alpha,alpha-Dimethyl-benzylalcohol - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | 1325 |
| WGK Germany | 3 |
| RTECS | DO4562000 |
| TSCA | Yes |
| HS Code | 29062990 |
| Hazard Note | Irritant |
alpha,alpha-Dimethyl-benzylalcohol - Introduction
Insoluble in water, soluble in ethanol, ether, benzene.
Last Update：2022-10-16 17:27:11
alpha,alpha-Dimethyl-benzylalcohol - Reference Information
| LogP | 1.89 at 25℃ |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 2-Phenyl-2-Propanol (2-Phenyl-2-Propanol,2P2P), also known as 2-Phenylisopropanol, dimethyl benzyl alcohol (dimethyl benzyl alcohol), chemical formula C9H12O, 2-phenyl-2-propanol has a certain degree of toxicity, such as being swallowed can cause physical injury, contact can also cause eye irritation. 2-phenyl -2-propanol with a rose aroma, is an additive of spices and cosmetics, is also an important industrial synthesis of dicumyl peroxide intermediates. |
| Application | 2-phenyl-2-propanol as a solvent is mainly used for ethylene-vinyl acetate copolymer (EVA) in the production process, EVA monomer is viscous liquid, mainly used in the manufacture of coatings and adhesives, can also be copolymerized with vinyl chloride, styrene and other monomers into EVA plastic, in order to improve the hardness of styrene and other monomers, increase elasticity and toughness. |
| synthesis process | Its synthesis method mainly uses cumene hydroperoxide as raw material, including inorganic reducing agent reduction method and catalytic hydrogenation method. At present, 2-phenyl-2-propanol is industrially synthesized by inorganic reductant reduction method. The synthesis process is as follows: cumene hydroperoxide (CHP) is prepared by catalytic oxidation of cumene with air as oxidant and alkali solution as additive; the CHP is then reduced with a sulfide base (NaS or Na2SO3) to prepare 2-phenyl-2-propanol. This method has high selectivity, but it will produce a large amount of alkaline or sulfur-containing wastewater, and the subsequent waste liquid treatment process is cumbersome, neither economical nor environmentally friendly; 2-phenyl -2-propanol was synthesized from cumene in two steps. Therefore, finding an efficient and environmentally friendly catalyst for the synthesis of 2-phenyl -2-propanol from cumene as a raw material has become the research direction of this process. |
| preparation | (1) cumene and a solid catalyst were added to the reactor, and sonicated to form a suspension; the solid catalyst is a nitrogen-doped carbon material, the nitrogen-doped carbon material is nitrogen-doped carbon nanotubes, nitrogen-doped graphene or nitrogen-doped activated carbon, the nitrogen content of the nitrogen-doped carbon material is 2-4.0%; The weight ratio of the nitrogen-doped carbon material solid catalyst to cumene is 0.006-0.012: 1;(2) the resulting suspension is heated to 40~100 ° C, oxygen is introduced, and the reaction is carried out under normal pressure for 1~12H; The oxidant is bubbled in the form of a bubbling, and the amount of cumene per ml is calculated, the oxygen flow rate is 0.5-1.5mL/min;(3) after the reaction of step (2) is completed, the reaction mixture is separated, obtaining a solid catalyst and a liquid mixture containing 2-phenyl-2-propanol, acetophenone and isopropylbenzene hydroperoxide;(4) separating and purifying the liquid mixture in step (3), the target products 2-phenyl-2-propanol and acetophenone were obtained. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:51
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