3',4'-(Didecyloxy)benzaldehyde

The 3', 4'-(Didecyloxy)benzaldehyde, with the CAS registry number of 118468-34-1, is also known as 3', 4'-(Didecyloxy)benzaldehyde, 96%. This chemical's molecular formula is C₂₇H₄₆O₃ and molecular weight is 418.65. What's more, its systematic name is called 3, 4-Bis(decyloxy)benzaldehyde. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about 3', 4'-(Didecyloxy)benzaldehyde are: (1)ACD/LogP: 11.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.18; (4)ACD/LogD (pH 7.4): 11.18; (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: 21; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 129.75 cm³; (15)Molar Volume: 446.2 cm³; (16)Surface Tension: 34.5 dyne/cm; (17)Density: 0.938 g/cm³; (18)Flash Point: 262.3 °C; (19)Enthalpy of Vaporization: 79.59 kJ/mol; (20)Boiling Point: 522.4 °C at 760 mmHg; (21)Vapour Pressure: 5.18E-11 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 3, 4-Dihydroxy-benzaldehyde with 1-Iodo-decane by heating. The reaction needs reagent KOH and solvent Ethanol. The reaction time is 24 hours. The yield is about 34 %.

Uses of 3', 4'-(Didecyloxy)benzaldehyde: it is used to produce other chemicals. For example, it is used to produce 3, 4-Bis-decyloxy-phenol. This reaction needs reagents H₂O₂ and H₂SO₄. Meanwhile, it needs solvents CHCl₃ and Methanol. The reaction time is 5 hours. The yield is about 65 %.

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, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc(OCCCCCCCCCC)c(OCCCCCCCCCC)cc1
(2) InChI: InChI=1/C27H46O3/c1-3-5-7-9-11-13-15-17-21-29-26-20-19-25(24-28)23-27(26)30-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22H2,1-2H3
(3) InChIKey: MKLNWOUQGKEWBQ-UHFFFAOYAK