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| CAS No.: | 142-75-6 |
|---|---|
| Name: | PROPYLENE GLYCOL MONOSTEARATE |
| Molecular Structure: | |
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| Formula: | C21H42O3 |
| Molecular Weight: | 342.563 |
| Synonyms: | Stearicacid, 2-hydroxypropyl ester (7CI,8CI);1,2-Propanediol, 1-stearate (8CI);1-Propylene glycol monostearate;2-Hydroxypropyl stearate; |
| EINECS: | 205-557-5 |
| Density: | 0.909 g/cm3 |
| Melting Point: | 54.0 °C |
| Boiling Point: | 447.7 °C at 760 mmHg |
| Flash Point: | 166.7 °C |
| PSA: | 46.53000 |
| LogP: | 6.17190 |
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Specification
The Octadecanoic acid,2-hydroxypropyl ester, with the CAS registry number 142-75-6, is also known as 1,2-Propanediol monooctadecanoate. Its EINECS registry number is 205-557-5. This chemical's molecular formula is C21H42O3 and molecular weight is 342.55638. Its IUPAC name is called 2-hydroxypropyl octadecanoate.
Physical properties of Octadecanoic acid,2-hydroxypropyl ester: (1)ACD/LogP: 8.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.2; (4)ACD/LogD (pH 7.4): 8.2; (5)ACD/BCF (pH 5.5): 998921.31; (6)ACD/BCF (pH 7.4): 998921.31; (7)ACD/KOC (pH 5.5): 685540.13; (8)ACD/KOC (pH 7.4): 685540.13; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 20; (12)Index of Refraction: 1.457; (13)Molar Refractivity: 102.6 cm3; (14)Molar Volume: 376.5 cm3; (15)Surface Tension: 33.5 dyne/cm; (16)Density: 0.909 g/cm3; (17)Flash Point: 166.7 °C; (18)Enthalpy of Vaporization: 81.48 kJ/mol; (19)Boiling Point: 447.7 °C at 760 mmHg; (20)Vapour Pressure: 6.74E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(C)O
(2)InChI: InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h20,22H,3-19H2,1-2H3
(3)InChIKey: FKOKUHFZNIUSLW-UHFFFAOYSA-N