.gamma.-methyl-Benzenepentanol
1-PENTANOL, 3-METHYL-5-PHENYL
CAS: 55066-48-3
Molecular Formula: C12H18O
.gamma.-methyl-Benzenepentanol - Names and Identifiers
.gamma.-methyl-Benzenepentanol - Physico-chemical Properties
| Molecular Formula | C12H18O |
| Molar Mass | 178.28 |
| Density | 0.957±0.06 g/cm3(Predicted) |
| Boling Point | 141-143 °C(Press: 11 Torr) |
| Water Solubility | 390mg/L at 20℃ |
| Vapor Presure | 0.04Pa at 20℃ |
| pKa | 15.11±0.10(Predicted) |
.gamma.-methyl-Benzenepentanol - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36 - Irritating to the eyes |
| Safety Description | 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
.gamma.-methyl-Benzenepentanol - References
| LogP | 2.7 at 30℃ |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | phenylpentanol, chemical name is 3-methyl -5-phenyl-pentanol, also known as phenyl isohexanol, is commonly used in the Rose fragrance series of spices. Due to its extraordinary fragrance persistence, the natural rose oil-like fragrance is widely used in high-grade Daily flavor, personal care and home care products. |
| preparation | Step A: Take A ml Four-necked flask 1 as an autoclave, and add 400g of benzaldehyde, 400g of tert-butylbenzene, and 1g of ferric sulfate. The stirring is turned on, the contents of the kettle are heated to control the reaction temperature of 150~155°C, and 350g of isopentanol is added dropwise to the reaction vessel through a dropping funnel. As the dropping proceeds, the reaction will produce water, the water generated is removed by a water separator, and the distilled upper oil phase is returned to the reaction vessel. Step B: After the dropwise addition is completed, reflux is continued for water separation. When the water separation is to reach 67mL, the water separation is stopped, the water is lowered to 50°C, and water is washed, the water was removed to obtain 1070g of oil phase, which was subjected to vacuum distillation to obtain 602g of 96% phenyldihydropyran, and 510g of tert-butylbenzene was recovered. The recovered tert-butylbenzene contained a small amount of benzaldehyde and isopentenyl alcohol. Step C: put the recovered phenyldihydropyran 602g and Raney nickel 12G into a 1000 mL hydrogenation kettle, raise the temperature to 130 ° 0, pressure 0.6 ~ 1MPa, start hydrogenation, and add hydrogen to 130 ℃, the reaction time was 211, and about 40% of the theoretical hydrogenation amount was stopped, cooled, and filtered. Step D: The clear solution of the hydrogenation filtration is put into the hydrogenation kettle again, and 5% Palladium carbon 3G is put to raise the temperature to 130-140 ° C., and the pressure is 0. 7 ~ 1MPa, start hydrogenation, continue for 4H to no longer take hydrogen, stop the reaction, sampling detection, phenyl dihydropyran conversion rate of 93%. Step E: After the hydrogenation is completed, the hydrogenation material is cooled, replaced, filtered and washed with water to obtain 612g of an oil phase. The crude product was subjected to distillation under reduced pressure to obtain 450g (content: 98%) of phenylelopentanol, and 145g (content: 57) of pre-and post-fractions. 6% ), the finished product and before and after the fractions were converted to 524 of the benzene. 5G. |
Last Update：2024-04-09 02:00:23
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