3,6,9-TRIOXAUNDECANEDIOIC ACID

The Acetic acid,2,2'-[oxybis(2,1-ethanediyloxy)]bis- with CAS registry number of 13887-98-4 is also known as 2-(2-(Carboxymethoxy)ethoxy)ethoxyacetic acid. The IUPAC name is 2-[2-[2-(Carboxymethoxy)ethoxy]ethoxy]acetic acid. It belongs to product categories of Heterocyclic Compounds. Its EINECS registry number is 237-655-9. In addition, the formula is C₈H₁₄O₇ and the molecular weight is 222.19.

Physical properties about Acetic acid,2,2'-[oxybis(2,1-ethanediyloxy)]bis- are: (1)ACD/LogP: -1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.05; (4)ACD/LogD (pH 7.4): -6.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 80.29Ų; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 47.47 cm³; (15)Molar Volume: 168.9 cm³; (16)Polarizability: 18.82×10^-24cm³; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.315 g/cm³; (19)Flash Point: 178.3 °C; (20)Enthalpy of Vaporization: 76.9 kJ/mol; (21)Boiling Point: 443.7 °C at 760 mmHg; (22)Vapour Pressure: 4.1E-09 mmHg at 25 °C.

Preparation of Acetic acid,2,2'-[oxybis(2,1-ethanediyloxy)]bis-: it is prepared by reaction of 3,6,9-Trioxaundecane-1,11-dioic acid di-tert-butyl ester. The reaction needs reagent CF₃COOH and solvent CH₂Cl₂ at ambient temperature for 2 hours. The yield is about 100%.

Uses of Acetic acid,2,2'-[oxybis(2,1-ethanediyloxy)]bis-: it is used to produce 1,9-Bis(benzimidazol-2-yl)-2,5,8-trioxanonane. The reaction needs condition of 140-160 °C for 4 hours. The yield is about 36%.

When you are using this chemical, please be cautious about it. As a chemical, it has risk of serious damage to eyes. During using it, wear 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=C(O)COCCOCCOCC(=O)O
2. InChI: InChI=1/C8H14O7/c9-7(10)5-14-3-1-13-2-4-15-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
3. InChIKey: HJZZQNLKBWJYPD-UHFFFAOYAV
4. Std. InChI: InChI=1S/C8H14O7/c9-7(10)5-14-3-1-13-2-4-15-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
5. Std. InChIKey: HJZZQNLKBWJYPD-UHFFFAOYSA-N