CAS No.4471-05-0,1-PHENYL-1-HEXANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4471-05-0
Name:	1-PHENYL-1-HEXANOL
Article Data:	109

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

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Specification

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 %.

The Benzenemethanol, a-pentyl- can be obtained by Phenyl-oxirane and Butylmagnesium bromide

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 %.

The Benzenemethanol, a-pentyl- can react to get (1-Azido-hexyl)-benzene

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