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3-Hydroxy-2,2-bis(hydroxymethyl)propyl oleate

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Name

3-Hydroxy-2,2-bis(hydroxymethyl)propyl oleate

EINECS 233-723-7
CAS No. 10332-32-8 Density 1.006g/cm3
Solubility Melting Point
Formula C23H44O5 Boiling Point 523.6 °Cat760mmHg
Molecular Weight 400.59246 Flash Point 165.5 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 10332-32-8 (3-Hydroxy-2,2-bis(hydroxymethyl)propyl oleate) Hazard Symbols
Synonyms

9-Octadecenoicacid (Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester;Oleic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propylester (8CI);Oleic acid, ester with pentaerythritol (6CI,7CI);Pentaerythritol,monooleate (8CI);9-Octadecenoic acid(9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester;ExceparlPE-MO;Pentaerythritol ester with oleic acid (1:1);Pentaerythritol monoleate;Pentamull 126;

 

3-Hydroxy-2,2-bis(hydroxymethyl)propyl oleate Chemical Properties

Molecule structure of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl oleate (CAS NO.10332-32-8):

IUPAC Name: [3-Hydroxy-2,2-bis(hydroxymethyl)propyl] (Z)-octadec-9-enoate 
Molecular Weight: 400.59246 g/mol
Molecular Formula: C23H44O5 
Density: 1.006 g/cm3
Boiling Point: 523.6 °C at 760 mmHg 
Flash Point: 165.5 °C
Index of Refraction: 1.489
Molar Refractivity: 115 cm3
Molar Volume: 397.8 cm3
Surface Tension: 40.6 dyne/cm  
Enthalpy of Vaporization: 91.75 kJ/mol
Vapour Pressure: 3.74E-13 mmHg at 25 °C
XLogP3-AA: 5.7
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 21
Exact Mass: 400.318875
MonoIsotopic Mass: 400.318875
Topological Polar Surface Area: 87
Heavy Atom Count: 28
Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)(CO)CO
Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)(CO)CO
InChI: InChI=1S/C23H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26/h9-10,24-26H,2-8,11-21H2,1H3/b10-9-
InChIKey: QQVGEJLUEOSDBB-KTKRTIGZSA-N
EINECS of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl oleate (CAS NO.10332-32-8): 233-723-7

3-Hydroxy-2,2-bis(hydroxymethyl)propyl oleate Specification

 3-Hydroxy-2,2-bis(hydroxymethyl)propyl oleate (CAS NO.10332-32-8) is also named as AI3-07501 ; Pentaerythritol monooleate ; 9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester ; 9-Octadecenoic acid, (Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester .

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