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67399-94-4

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Basic Information
CAS No.: 67399-94-4
Name: 1,2-(DIOCTYLOXY)BENZENE
Article Data: 52
Molecular Structure:
Molecular Structure of 67399-94-4 (1,2-(DIOCTYLOXY)BENZENE)
Formula: C22H38O2
Molecular Weight: 334.543
Synonyms: 1,4-Bis(octyloxy)-2,5-bis[(E)-2-phenylvinyl]benzene;
Density: 1.007 g/cm3
Melting Point: 56-59
Boiling Point: 658 °C at 760 mmHg
Flash Point: 188.5 °C
Safety: 24/25
PSA: 18.46000
LogP: 7.16520
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Specification

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%.

Benzene,1,4-bis(octyloxy can be prepared by Benzene-1,4-diol with 1-Bromo-octane.Benzene,1,4-bis(octyloxy can be prepared by Benzene-1,4-diol and 1-Bromo-octane.Benzene,1,4-bis(octyloxy can be prepared by Benzene-1,4-diol and 1-Bromo-octane.

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%.

Benzene,1,4-bis(octyloxy)- can react with Formaldehyde to give 1,4-Bis-bromomethyl-2,5-bis-octyloxy-benzene.Benzene,1,4-bis(octyloxy)- can react with Formaldehyde to give 1,4-Bis-bromomethyl-2,5-bis-octyloxy-benzene.Benzene,1,4-bis(octyloxy)- can react with Formaldehyde to give 1,4-Bis-bromomethyl-2,5-bis-octyloxy-benzene

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