Basic information
- Name:
Propylene glycol monooleate
- CAS No.:
1330-80-9
- Molecular Structure:
- Formula:
- C21H40O3
- Molecular Weight:
- 340.5405
- Deleted CAS:
- 27213-39-4
- Synonyms:
- Sunsoft 25O;9-Octadecenoic acid (9Z)-,esters,monoester with 1,2-propanediol;Sunsoft 25OD;G 923;
- EINECS:
- 215-549-3
- Density:
- 0.919 g/cm3
- Boiling Point:
- 446.8 °C at 760 mmHg
- Flash Point:
- 167 °C
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Specification
The Propylene glycol monooleate, with CAS registry number 1330-80-9, has the systematic name of 2-hydroxypropyl octadec-9-enoate. Besides this, it is also called 9-Octadecenoic acid (9Z)-, monoester with 1,2-propanediol. And the chemical formula of this chemical is C21H40O3 .
Physical properties of Propylene glycol monooleate: (1)ACD/LogP: 7.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.68; (4)ACD/LogD (pH 7.4): 7.68; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 19; (8)Polar Surface Area: 46.53 Å2; (9)Index of Refraction: 1.466; (10)Molar Refractivity: 102.66 cm3; (11)Molar Volume: 370.1 cm3; (12)Polarizability: 40.69×10-24cm3; (13)Surface Tension: 33.9 dyne/cm; (14)Density: 0.919 g/cm3; (15)Flash Point: 167 °C; (16)Enthalpy of Vaporization: 81.35 kJ/mol; (17)Boiling Point: 446.8 °C at 760 mmHg; (18)Vapour Pressure: 7.34E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(O)COC(=O)CCCCCCCC=CCCCCCCCC
(2)InChI: InChI=1/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h10-11,20,22H,3-9,12-19H2,1-2H3
(3)InChIKey: ZVTDEEBSWIQAFJ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h10-11,20,22H,3-9,12-19H2,1-2H3
(5)Std. InChIKey: ZVTDEEBSWIQAFJ-UHFFFAOYSA-N