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26402-31-3
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Basic Information
CAS No.: 26402-31-3
Name: Propylene glycol monoricinoleate
Molecular Structure:
Molecular Structure of 26402-31-3 (Propylene glycol monoricinoleate)
Formula: C21H40O4
Molecular Weight: 356.54
Synonyms: 9-Octadecenoic acid,12-hydroxy-,monoester with 1,2-propanediol;Polycin 51;
EINECS: 247-669-7
Density: 0.968 g/cm3
Boiling Point: 481.1 °C at 760 mmHg
Flash Point: 154.5 °C
Appearance: Appearance @ 25oC Clear Liquid
PSA: 66.76000
LogP: 4.91870
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Specification

This chemical is called Propylene glycol monoricinoleate, and its systematic name is 2-hydroxypropyl 12-hydroxyoctadec-9-enoate. With the molecular formula of C21H40O4, its molecular weight is 356.54. The CAS registry number of this chemical is 26402-31-3.

Other characteristics of the Propylene glycol monoricinoleate can be summarised as followings: (1)ACD/LogP: 5.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.68; (4)ACD/LogD (pH 7.4): 5.68; (5)ACD/BCF (pH 5.5): 12241.28; (6)ACD/BCF (pH 7.4): 12241.28; (7)ACD/KOC (pH 5.5): 29353.15; (8)ACD/KOC (pH 7.4): 29353.15; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 104.15 cm3; (15)Molar Volume: 368 cm3; (16)Polarizability: 41.29×10-24cm3; (17)Surface Tension: 37 dyne/cm; (18)Density: 0.968 g/cm3; (19)Flash Point: 154.5 °C; (20)Enthalpy of Vaporization: 85.94 kJ/mol; (21)Boiling Point: 481.1 °C at 760 mmHg; (22)Vapour Pressure: 2.82E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC(O)C)CCCCCCCC=CCC(O)CCCCCC
2.InChI: InChI=1/C21H40O4/c1-3-4-5-12-15-20(23)16-13-10-8-6-7-9-11-14-17-21(24)25-18-19(2)22/h10,13,19-20,22-23H,3-9,11-12,14-18H2,1-2H3 3.InChIKey: JZSMZIOJUHECHW-UHFFFAOYAB