2-HYDROXYDECANOIC ACID

The 2-Hydroxycapric acid, with the CAS registry number 5393-81-7, is also known as α-Hydroxydecanoic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₀H₂₀O₃ and molecular weight is 188.26. What's more, its IUPAC name is 2-Hydroxydecanoic acid. In addition, it must be stored at 2-8 °C.

Physical properties about 2-Hydroxycapric acid are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): -0.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.35; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 51.43 cm³; (15)Molar Volume: 186.1 cm³; (16)Polarizability: 20.39×10^-24 cm³; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.011 g/cm³; (19)Flash Point: 160.9 °C; (20)Enthalpy of Vaporization: 64.96 kJ/mol; (21)Boiling Point: 318.9 °C at 760 mmHg; (22)Vapour Pressure: 2.9E-05 mmHg at 25 °C.

Preparation of 2-Hydroxycapric acid: this chemical is prepared by 2-Amino-decanoic acid at ambient temperature. This reaction needs reagents H₂SO₄ and aq. NaNO₂. The yield is about 40 %.

Uses of 2-Hydroxycapric acid: it is used to produce other chemicals. For example, it is used to produce Nonanal by heating. This reaction needs reagent Sodium periodate, catalyst Hexadecyltributylphosphonium bromide. Meanwhile, it needs solvents H₂O and CHCl₃. The reaction time is 4 hours. The yield is about 82 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(O)CCCCCCCC
(2) InChI: InChI=1/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
(3) InChIKey: GHPVDCPCKSNJDR-UHFFFAOYAC