Products Categories
CAS No.: | 4471-05-0 |
---|---|
Name: | 1-PHENYL-1-HEXANOL |
Article Data: | 109 |
Molecular Structure: | |
Formula: | C12H18O |
Molecular Weight: | 178.274 |
Synonyms: | alpha-Pentylbenzyl Alcohol; |
EINECS: | 200-258-5 |
Density: | 0.955 g/cm3 |
Boiling Point: | 258.5 °C at 760 mmHg |
Flash Point: | 117.5 °C |
PSA: | 20.23000 |
LogP: | 3.30030 |
The Benzenemethanol, a-pentyl-, with the CAS registry number of 4471-05-0, is also known as alpha-Pentylbenzyl Alcohol. This chemical's molecular formula is C12H18O and molecular weight is 178.27. What's more, its IUPAC name is 1-Phenylhexan-1-ol. In addition, it must be stored in airtight containers and placed in a dry place. Besides, you should ensure the work place is well-ventilated.
Physical properties about the Benzenemethanol, a-pentyl- are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.51; (8)Molar Refractivity: 55.87 cm3; (9)Molar Volume: 186.5 cm3; (10)Surface Tension: 36.4 dyne/cm; (11)Density: 0.955 g/cm3; (12)Flash Point: 117.5 °C; (13)Enthalpy of Vaporization: 52.42 kJ/mol; (14)Boiling Point: 258.5 °C at 760 mmHg; (15)Vapour Pressure: 0.00699 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Phenyl-oxirane with Butylmagnesium bromide. The reaction needs reagent Y3 and solvent Diethyl ether. The reaction time is 2 h with reaction temperature of 25 °C. The yield is about 80 %.
Uses: it is used to produce other chemicals. For example, it is used to produce (1-Azido-hexyl)-benzene. This reaction needs reagents NaN3, BF3*Et2O. Meanwhile, it needs solvent Dioxane. The reaction time is 3 h with reaction temperature of 80 - 90 °C. The yield is about 86 %.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccccc1)CCCCC
(2) InChI: InChI=1/C12H18O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9,12-13H,2-3,5,10H2,1H3
(3) InChIKey: SVCRDVHXRDRHCP-UHFFFAOYAC