Basic Information | Post buying leads | Suppliers |
Name |
Glyceryl behenate |
EINECS | 278-717-5 |
CAS No. | 77538-19-3 | Density | 0.942 g/cm3 |
PSA | 66.76000 | LogP | 6.70470 |
Solubility | N/A | Melting Point |
N/A |
Formula | C25H50O4 | Boiling Point | 525.8 °C at 760 mmHg |
Molecular Weight | 414.66 | Flash Point | 161.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,3-dihydroxypropyl docosanoate;1,2,3-Propanetriol docosanoate;Docosanoic acid, ester with 1,2,3-propanetriol;Behenin;monobehenin;docosanoic acid, 2,3-dihydroxypropyl ester; |
The Glyceryl behenate, with the cas registry number 77538-19-3 and EINECS registry number 278-717-5, has the systematic name of 2,3-dihydroxypropyl docosanoate. And the molecular formula of the chemical is C25H50O4.
The characteristics of this chemical are as followings: (1)ACD/LogP: 9.35; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 26; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.469; (8)Molar Refractivity: 122.67 cm3; (9)Molar Volume: 440 cm3; (10)Polarizability: 48.63×10-24cm3; (11)Surface Tension: 36.5 dyne/cm; (12)Density: 0.942 g/cm3; (13)Flash Point: 161.3 °C; (14)Enthalpy of Vaporization: 92.05 kJ/mol; (15)Boiling Point: 525.8 °C at 760 mmHg; (16)Vapour Pressure: 2.97E-13 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC(O)CO)CCCCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h24,26-27H,2-23H2,1H3
(3)InChIKey: OKMWKBLSFKFYGZ-UHFFFAOYAW