Glyceryl behenate supplier | CasNO.77538-19-3

Name
Glyceryl behenate
EINECS 278-717-5
CAS No. 77538-19-3
Density 0.942 g/cm³
Solubility
Melting Point
Formula C₂₅H₅₀O₄
Boiling Point 525.8 °C at 760 mmHg
Molecular Weight 414.66
Flash Point 161.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 66.76000
LogP 6.70470

Glyceryl behenate Specification

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

Product Name

Glyceryl behenate

Glyceryl behenate Specification

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