The Monoolein, with the CAS registry number 25496-72-4,is also known as Glyceryl monooleate. It belongs to the product categories of Glycerols;Cosmetic Ingredients & Chemicals. This chemical's molecular formula is C21H40O4 and molecular weight is 356.54.Its EINECS number is 203-827-7. What's more,Its systematic name is Ethyl chloroformate. It is a Colourless Solid which is used as surfactant, lubricant, pharmaceutical raw material, etc.
Physical properties about Monoolein are:
(1)ACD/LogP: 6.677; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.68; (4)ACD/LogD (pH 7.4): 6.68; (5)ACD/BCF (pH 5.5): 69896.39; (6)ACD/BCF (pH 7.4): 69896.31; (7)ACD/KOC (pH 5.5): 102150.60; (8)ACD/KOC (pH 7.4): 102150.50; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 21; (12)Index of Refraction: 1.479; (13)Molar Refractivity: 104.2 cm3; (14)Molar Volume: 367.662 cm3; (15)Surface Tension: 37.5979995727539 dyne/cm; (16)Density: 0.97 g/cm3; (17)Flash Point: 155.429 °C; (18)Enthalpy of Vaporization: 86.238 kJ/mol; (19)Boiling Point: 483.298 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(OCC(O)CO)CCCCCCC\C=C/CCCCCCCC;
(2)Std. InChI:InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-;
(3)Std. InChIKey:RZRNAYUHWVFMIP-KTKRTIGZSA-N.
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