1,2-O-Dihexadecyl-rac-glycerol

The CAS register number of 1,2-O-Dihexadecyl-rac-glycerol is 13071-60-8. It also can be called as (1)-2,3-Bis(hexadecyloxy)propan-1-ol and the IUPAC name about this chemical is 2,3-dihexadecoxypropan-1-ol. It belongs to the following product categories, such as Diacylglycerols, Glycerides, Neutral Glycerides and so on.

Physical properties about 1,2-O-Dihexadecyl-rac-glycerol are: (1)ACD/LogP: 15.26; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 15.25; (4)ACD/LogD (pH 7.4): 15.25; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 35; (12)Polar Surface Area: 27.69Ų; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 169.18 cm³; (15)Molar Volume: 616.8 cm³; (16)Polarizability: 67.06x10^-24cm³; (17)Surface Tension: 32.9 dyne/cm; (18)Enthalpy of Vaporization: 104.15 kJ/mol; (19)Boiling Point: 611.7 °C at 760 mmHg; (20)Vapour Pressure: 1.62E-17 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2-bis-hexadecyloxy-3-trityloxy-propane at heating. This reaction will need reagent aq. HCl and solvent acetic acid.

Uses of 1,2-O-Dihexadecyl-rac-glycerol: it can be used to produce 2,3-bis(hexadecyloxy)propyl succinate with succinic acid anhydride at temperature of 50 ℃. This reaction will need reagent triethylamine and solvent CHCl₃ with reaction time of 6 hours. The yield is about 93%.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC(OCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C35H72O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-34-35(33-36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3
(3)InChIKey: YQDJMFFVPVZWNK-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C35H72O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-34-35(33-36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3
(5)Std. InChIKey: YQDJMFFVPVZWNK-UHFFFAOYSA-N