Docosanoic acid,2,3-dihydroxypropyl ester supplier

Name
BEHENIN
EINECS
CAS No. 6916-74-1
Density 0.942 g/cm³
Solubility
Melting Point
Formula C₂₅H₅₀O₄
Boiling Point 525.8 °C at 760 mmHg
Molecular Weight 414.6621
Flash Point 161.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glycerol, 1-docosanoyl-;Behenin;
PSA 66.76000
LogP 6.70470

Docosanoic acid,2,3-dihydroxypropyl ester Specification

The Docosanoic acid,2,3-dihydroxypropyl ester, with the CAS registry number 6916-74-1, is also known as Glycerol, 1-docosanoyl- and Behenin. This chemical's molecular formula is C₂₅H₅₀O₄ and molecular weight is 414.6621. What's more, its systematic name is called 2,3-Dihydroxypropyl docosanoate.

Physical properties about Docosanoic acid,2,3-dihydroxypropyl ester are: (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)Surface Tension: 36.5 dyne/cm; (11)Density: 0.942 g/cm³; (12)Flash Point: 161.3 °C; (13)Enthalpy of Vaporization: 92.05 kJ/mol; (14)Boiling Point: 525.8 °C at 760 mmHg; (15)Vapour Pressure: 2.97E-13 mmHg at 25 °C.

You can still convert the following datas into 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

BEHENIN

Docosanoic acid,2,3-dihydroxypropyl ester Specification

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