1-Phenyl-1-propanol
1-Phenyl-1-propanol
CAS: 93-54-9
Molecular Formula: C9H12O
1-Phenyl-1-propanol - Names and Identifiers
| Name | 1-Phenyl-1-propanol |
| Synonyms | 1-Phenylpropan-1-ol 1-Phenyl-n-propanol 1-Phenyl-1-propanol 1-phenyl-propan-1-ol 1-Propanol, 1-phenyl- PHENYL ETHYL CARBINOL 1-Phenyl-1-Hydroxypropane .alpha.-Ethylbenzenemethanol .alpha.-Hydroxypropylbenzene |
| CAS | 93-54-9 |
| EINECS | 202-256-0 |
| InChI | InChI=1/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3 |
| InChIKey | DYUQAZSOFZSPHD-UHFFFAOYSA-N |
1-Phenyl-1-propanol - Physico-chemical Properties
| Molecular Formula | C9H12O |
| Molar Mass | 136.19 |
| Density | 0.994g/mLat 25°C(lit.) |
| Boling Point | 217-219°C(lit.) |
| Flash Point | 195°F |
| JECFA Number | 822 |
| Water Solubility | insoluble |
| Solubility | 0.62g/l |
| Vapor Presure | 0.0707mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless |
| Merck | 14,3768 |
| BRN | 1906759 |
| pKa | 14.43±0.20(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.521 |
| Physical and Chemical Properties | Colorless oily liquid. Boiling point 219 ℃, relative density 0.9915(25/4 ℃), refractive index 1.5169(23 ℃). Flash point 90 ℃. It can be miscible with methanol, ethanol, ether, benzene and toluene and toluene. Slightly aromatic, pungent and sweet. |
1-Phenyl-1-propanol - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 22 - Harmful if swallowed |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | 2810 |
| WGK Germany | 3 |
| RTECS | DO5470000 |
| HS Code | 29062900 |
| Toxicity | LD50 orally in rats: 1.6 ml/kg (Linét) |
1-Phenyl-1-propanol - Reference Information
| FEMA | 2884 | 1-PHENYL-1-PROPANOL |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Overview | secondary alcohols are an important class of compounds, not only important organic intermediates, but also in the pharmaceutical, pesticide, fine Chemicals such as spices are widely used. In the traditional method, the use of high temperature and high pressure hydrogenation, adding sodium borohydride and other inorganic reducing agents, or the use of formic acid and sodium formate to prepare secondary alcohols, these methods have a safety hazard in the reaction process, as well as the production of a large number of waste, causing some pollution to the environment. In recent years, the use of isopropanol as a hydrogen source to prepare, isopropanol is a cheap, safe, non-toxic hydrogen donor, this method has received extensive attention. However, it is necessary to add a strong base or a weak base during the reaction. Therefore, from the perspective of organic synthesis, the development of a new class of organometallic catalysts, through the use of cheap, safe, non-toxic isopropyl alcohol as hydrogen source and solvent, the reaction does not need to add alkali, it is important to be able to catalyze such reactions in an environmentally friendly and mild state. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): Beverage, cold drink, 0.50; Candy, baked product, 1.5. An appropriate amount is limited (FDA,§ 172.515,2001). |
| Use | This product is used as a fragrance, heat transfer medium, and is also a choleretic drug. As a drug, it is also called choleretic alcohol, which can promote bile secretion, facilitate digestion, increase appetite, discharge stones and reduce blood cholesterol. Suitable for cholecystitis, biliary tract infection, cholelithiasis, biliary tract postoperative syndrome, hypercholesterolemia. The oral LD50 of rats was 1.6/kg. |
| production method | is derived from the reduction of phenylacetone in ethanol with potassium borohydride. Phenylacetone and ethanol were added into the reaction pot, potassium boron hydrogen was added into the secondary roller under cooling and stirring, and hydrochloric acid was added dropwise to adjust the pH to 9-9.5, and the temperature was controlled not to exceed 30 °c. After completion of the reaction, the reaction was neutralized to Neutral with hydrochloric acid, and ethanol was distilled and recovered. After cooling and layering, the aqueous layer was separated and subjected to distillation under reduced pressure to collect a 108-116 ° C. (2.66kPa) fraction, I .e., 1-phenylpropanol. The yield was 96%. |
Last Update：2024-04-10 22:29:15
