3',4'-(DIDODECYLOXY)BENZALDEHYDE

The Benzaldehyde, 3, 4-bis(dodecyloxy)-, with the CAS registry number of 117241-25-5, is also known as 3', 4'-(Didodecyloxy)benzaldehyde. This chemical's molecular formula is C₃₁H₅₄O₃ and molecular weight is 474.76. What's more, its systematic name is called 3, 4-Bis(dodecyloxy)benzaldehyde. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Benzaldehyde, 3, 4-bis(dodecyloxy)- are: (1)ACD/LogP: 13.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 13.3; (4)ACD/LogD (pH 7.4): 13.3; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 25; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 148.28 cm³; (15)Molar Volume: 512.2 cm³; (16)Surface Tension: 34.4 dyne/cm; (17)Density: 0.926 g/cm³; (18)Flash Point: 290.6 °C; (19)Enthalpy of Vaporization: 85.35 kJ/mol; (20)Boiling Point: 568.8 °C at 760 mmHg; (21)Vapour Pressure: 5.97E-13 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 3, 4-Dihydroxy-benzaldehyde with 1-Bromo-dodecane by heating. This reaction needs reagents K₂CO₃ and KI. Meanwhile, it needs solvent Acetone. The reaction time is 24 hours. The yield is about 85 %.

Uses of Benzaldehyde, 3, 4-bis(dodecyloxy)-: it is used to produce other chemicals. For example, it is used to produce (3, 4-Bis-dodecyloxy-phenyl)-methanol by heating. The reaction needs reagent LiAlH₄. Meanwhile, it needs solvents Diethyl ether and Tetrahydrofuran. The reaction time is 3 hours. The yield is about 100 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc1
(2) InChI: InChI=1/C31H54O3/c1-3-5-7-9-11-13-15-17-19-21-25-33-30-24-23-29(28-32)27-31(30)34-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26H2,1-2H3
(3) InChIKey: DCCUOJMQKCHYDO-UHFFFAOYAR