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| CAS No.: | 1323-42-8 |
|---|---|
| Name: | Glycerol monohydroxystearate |
| Molecular Structure: | |
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| Formula: | C21H42O5 |
| Molecular Weight: | 374.5552 |
| Synonyms: | Glyceryl hydroxystearate; |
| EINECS: | 215-355-9 |
| Density: | 1.007 g/cm3 |
| Boiling Point: | 520.5 °C at 760 mmHg |
| Flash Point: | 168.9 °C |
| Solubility: | 650μg/L at 20℃ |
| Appearance: | white or pale yellow powder |
| PSA: | 86.99000 |
| LogP: | 4.11510 |
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Specification
The Glycerol monohydroxystearate, with CAS registry number 1323-42-8, has the systematic name of 1,3-dihydroxypropan-2-yl 2-hydroxyoctadecanoate. Besides this, it is also called octadecanoic acid, 2-hydroxy-, 2-hydroxy-1-(hydroxymethyl)ethyl ester. And the chemical formula of this chemical is C21H42O5. What's more, its EINECS is 215-355-9.
Physical properties of Glycerol monohydroxystearate: (1)ACD/LogP: 6.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.03; (4)ACD/LogD (pH 7.4): 6.03; (5)ACD/BCF (pH 5.5): 22569.22; (6)ACD/BCF (pH 7.4): 22569.12; (7)ACD/KOC (pH 5.5): 45481.32; (8)ACD/KOC (pH 7.4): 45481.13; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 23; (12)Polar Surface Area: 53.99 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 105.63 cm3; (15)Molar Volume: 371.9 cm3; (16)Polarizability: 41.87×10-24cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.007 g/cm3; (19)Flash Point: 168.9 °C; (20)Enthalpy of Vaporization: 91.31 kJ/mol; (21)Boiling Point: 520.5 °C at 760 mmHg; (22)Vapour Pressure: 5.21E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(CO)CO)C(O)CCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C21H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)21(25)26-19(17-22)18-23/h19-20,22-24H,2-18H2,1H3
(3)InChIKey: YIDBZTKQBSDQDX-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C21H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)21(25)26-19(17-22)18-23/h19-20,22-24H,2-18H2,1H3
(5)Std. InChIKey: YIDBZTKQBSDQDX-UHFFFAOYSA-N