1-Butanol,4-(phenylmethoxy)- (4541-14-4)

The 4-Benzyloxy-1-butanol with the CAS number 4541-14-4 is also called 1-Butanol,4-(phenylmethoxy)-. The IUPAC name is 4-phenylmethoxybutan-1-ol. Its molecular formula is also called C₁₁H₁₆O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 14.95; (6)ACD/BCF (pH 7.4): 14.95; (7)ACD/KOC (pH 5.5): 241.2; (8)ACD/KOC (pH 7.4): 241.2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 52.98 cm³; (15)Molar Volume: 175.6 cm³; (16)Polarizability: 21×10^-24cm³; (17)Surface Tension: 39.2 dyne/cm; (18)Enthalpy of Vaporization: 54.81 kJ/mol; (19)Vapour Pressure: 0.00183 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of chloromethyl-benzene and butane-1,4-diol. This reaction needs reagent Na and solvent xylene.

Uses: This chemical can prepare benzyl-(4-chloro-butyl)-ether. This reaction needs reagent dimethylaniline and thionyl chloride.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CCCCO)Cc1ccccc1
(2)InChI: InChI=1/C11H16O2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
(3)InChIKey: TYROJDFHUXSBHC-UHFFFAOYAO