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Propylene glycol monooleate

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  • Name Propylene glycol monooleate
  • EINECS215-549-3
  • CAS No. 1330-80-9
  • Density0.919 g/cm3
  • PSA46.53000
  • LogP5.94790
  • Solubility9.738μg/L at 28℃
  • Melting PointN/A
  • FormulaC21H40O3
  • Boiling Point446.8 °C at 760 mmHg
  • Molecular Weight340.5405
  • Flash Point167 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 1330-80-9 (Propylene glycol monooleate)
  • Hazard SymbolsN/A
  • SynonymsN/A

Propylene glycol monooleate 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

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