1,2-(DIOCTYLOXY)BENZENE

The Benzene,1,4-bis(octyloxy)-, with the CAS registry number 67399-94-4, is also known as 1,4-Bis(octyloxy)-2,5-bis[(E)-2-phenylvinyl]benzene. This chemical's molecular formula is C₂₂H₃₈O₂ and molecular weight is 334.5359. When you are dealing with this chemical, you should be very careful and avoid contacting with skin and eyes.

Physical properties about Benzene,1,4-bis(octyloxy)- are: (1)ACD/LogP: 9.54; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.54; (4)ACD/LogD (pH 7.4): 9.54; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3678150.5; (8)ACD/KOC (pH 7.4): 3678150.5; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 104.46 cm³; (15)Molar Volume: 368.5 cm³; (16)Polarizability: 41.41×10^-24cm³; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 0.907 g/cm³; (19)Flash Point: 136.8 °C; (20)Enthalpy of Vaporization: 65.99 kJ/mol; (21)Boiling Point: 430.9 °C at 760 mmHg; (22)Vapour Pressure: 3.15E-07 mmHg at 25 °C.

Preparation of Benzene,1,4-bis(octyloxy)-: this chemical can be prepared by Benzene-1,4-diol and 1-Bromo-octane. This reaction needs reagent K₂CO₃ and solvent Dimethylformamide at temperature of 24 °C. The reaction time is 80 hours. The yield is 90%.

Uses of Benzene,1,4-bis(octyloxy)-: it can react with Formaldehyde to give 1,4-Bis-bromomethyl-2,5-bis-octyloxy-benzene. The reaction occurs with reagent HBr and sovent Acetic acid. This reaction will occur at temperature of 65 °C for 2 hours. The yield is 70%.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(OCCCCCCCC)cc1)CCCCCCCC
(2) InChI: InChI=1/C22H38O2/c1-3-5-7-9-11-13-19-23-21-15-17-22(18-16-21)24-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3
(3) InChIKey:KFQGWEDSKAPIDJ-UHFFFAOYAM