Undecanedioic acid (1852-04-6)

The Undecanedioic acid with the CAS number 1852-04-6 is also called 1,9-Nonanedicarboxylicacid. Its molecular formula is C₁₁H₂₀O₄. The EINECS registry number is 217-440-6. This chemical belongs to the following product categories: (1)alpha,omega-Alkanedicarboxylic Acids; (2)alpha,omega-Bifunctional Alkanes; (3)Monofunctional & alpha,omega-Bifunctional Alkanes. It is white to light yellow powder.

The properties of the Undecanedioic acid are: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): -2.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.18; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 56.13 cm³; (15)Molar Volume: 199.3 cm³; (16)Polarizability: 22.25×10^-24cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Enthalpy of Vaporization: 71.43 kJ/mol; (19)Vapour Pressure: 1.61×10^-7 mmHg at 25°C.

Preparation: This chemical can be prepared by 11-hydroxy-undecanoic acid. This reaction needs reagent chromium trioxide and glacial acetic acid.

Uses: This chemical can react with deca-3,5,7-triene-1,10-diol to prepare 1,12-dioxa-cyclotricosa-4,6,8-triene-13,23-dione. This reaction needs heating. The yield is 20%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should 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)CCCCCCCCCC(=O)O
(2)InChI: InChI=1/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)
(3)InChIKey: LWBHHRRTOZQPDM-UHFFFAOYAZ