8-HYDROXYOCTANOIC ACID

The Octanoic acid,8-hydroxy-, with CAS registry number 764-89-6, has the systematic name of 8-hydroxyoctanoic acid. Besides this, it is also called Hydroxyoctanoic acid. This chemical is a kind of light yellow powder. And the chemical formula of this chemical is C₈H₁₆O₃. What's more, it has been identified in the urine of children with medium-chain acyl-CoA dehydrogenase (MCAD) deficiency.

Physical properties of Octanoic acid,8-hydroxy-: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): -1.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.56; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 42.21 cm³; (15)Molar Volume: 152.7 cm³; (16)Polarizability: 16.73×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.049 g/cm³; (19)Flash Point: 148.8 °C; (20)Enthalpy of Vaporization: 62.51 kJ/mol; (21)Boiling Point: 298.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000123 mmHg at 25°C.

Preparation: this chemical can be prepared by oxonan-2-one. This reaction will need reagent aq. NaOH.

Uses of Octanoic acid,8-hydroxy-: it can be used to produce 1,10-dioxa-cyclooctadecane-2,11-dione. This reaction will need reagent n-Bu₂SnO and solvent 1,3,5-trimethyl-benzene. The reaction time is 19 hour(s). The yield is about 20%.

When you are using this chemical, please be cautious about it as the following:
The Octanoic acid,8-hydroxy- may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCO
(2)InChI: InChI=1/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11)
(3)InChIKey: KDMSVYIHKLZKET-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11)
(5)Std. InChIKey: KDMSVYIHKLZKET-UHFFFAOYSA-N