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| CAS No.: | 27638-00-2 |
|---|---|
| Name: | Dilaurin |
| Molecular Structure: | |
 |
|
| Formula: | C27H52O5 |
| Molecular Weight: | 456.39 |
| Synonyms: | Glyceryl dilaurate;Lauric acid, diester with glycerol;1,2-Didodecanoylglycerol;2,3-Dilauroyl-D-glycerol; |
| EINECS: | 248-586-9 |
| Density: | 0.953 g/cm3 |
| Melting Point: | 57.8 °C |
| Boiling Point: | 531 °C at 760 mmHg |
| Flash Point: | 158 °C |
| PSA: | 72.83000 |
| LogP: | 7.27550 |
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Specification
The Dilaurin, with the CAS registry number 27638-00-2, is also known as Glyceryl dilaurate. It belongs to the product categories of Diacylglycerols; Glycerides; Neutral Glycerides. Its EINECS number is 248-586-9. This chemical's molecular formula is C27H52O5 and molecular weight is 456.7. What's more, its systematic name is (2-dodecanoyloxy-3-hydroxypropyl) dodecanoate. Its storage temperature is -20°C.
Physical properties of Dilaurin are: (1)ACD/LogP: 10.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.09; (4)ACD/BCF (pH 5.5): 1000000; (5)ACD/KOC (pH 5.5): 7360311; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 27; (9)Polar Surface Area: 61.83 Å2; (10)Index of Refraction: 1.463; (11)Molar Refractivity: 132.17 cm3; (12)Molar Volume: 479 cm3; (13)Surface Tension: 35.5 dyne/cm; (14)Density: 0.953 g/cm3; (15)Flash Point: 158 °C; (16)Enthalpy of Vaporization: 92.76 kJ/mol; (17)Boiling Point: 531 °C at 760 mmHg; (18)Vapour Pressure: 1.71E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC
(2)InChI: InChI=1S/C27H52O5/c1-3-5-7-9-11-13-15-17-19-21-26(29)31-24-25(23-28)32-27(30)22-20-18-16-14-12-10-8-6-4-2/h25,28H,3-24H2,1-2H3
(3)InChIKey: OQQOAWVKVDAJOI-UHFFFAOYSA-N