METHYL 9,10-DIHYDROXYOCTADECANOATE

The Octadecanoic acid,9,10-dihydroxy-, methyl ester, with the CAS registry number 1115-01-1, is also known as 9,10-Dihydroxystearicacid methyl ester. Its EINECS number is 214-220-1. This chemical's molecular formula is C₁₉H₃₈O₄ and molecular weight is 231.25. What's more, its IUPAC name is methyl 9,10-dihydroxyoctadecanoate. 

Physical properties of Octadecanoic acid,9,10-dihydroxy-, methyl ester are: (1)ACD/LogP: 4.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.8; (4)ACD/BCF (pH 5.5): 2637.21; (5)ACD/KOC (pH 5.5): 9782.51; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 19; (9)Polar Surface Area: 44.76 Å²; (10)Index of Refraction: 1.467; (11)Molar Refractivity: 94.83 cm³; (12)Molar Volume: 341.4 cm³; (13)Surface Tension: 36.8 dyne/cm; (14)Density: 0.968 g/cm³; (15)Flash Point: 143.2 °C; (16)Enthalpy of Vaporization: 80.87 kJ/mol; (17)Boiling Point: 443.1 °C at 760 mmHg; (18)Vapour Pressure: 1.03E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by octadec-9c-enoic acid methyl ester at the temperature of 25 °C. This reaction will need reagent H₂O₂, MgSO₄ and solvent 2-methyl-propan-2-ol with the reaction time of 24 hours. This reaction will also need catalyst methyltrioxorhenium. The yield is about 92%.

Uses of Octadecanoic acid,9,10-dihydroxy-, methyl ester: it can be used to produce 9-oxo-nonanoic acid methyl ester at the temperature of 25 - 26 °C. It will need reagent Pb(Ac)₄ and solvent benzene with the reaction time of 10 min. The yield is about 80%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC(C(CCCCCCCC(=O)OC)O)O
(2)InChI: InChI=1S/C19H38O4/c1-3-4-5-6-8-11-14-17(20)18(21)15-12-9-7-10-13-16-19(22)23-2/h17-18,20-21H,3-16H2,1-2H3
(3)InChIKey: RITHLQKJQSKUAO-UHFFFAOYSA-N