CAS No.19321-40-5,pentaerythritol tetraoleate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	19321-40-5
Name:	pentaerythritol tetraoleate
Article Data:	3

Formula:	C₇₇H₁₄₀O₈
Molecular Weight:	1193.93
Synonyms:	9-Octadecenoicacid (9Z)-, 2,2-bis[[[(9Z)-1-oxo-9-octadecenyl]oxy]methyl]-1,3-propanediylester (9CI);9-Octadecenoic acid (Z)-,2,2-bis[[(1-oxo-9-octadecenyl)oxy]methyl]-1,3-propanediyl ester, (Z,Z)-;Oleicacid, neopentanetetrayl ester (6CI,8CI);Pentaerythritol, tetraoleate (8CI);Doverlube FL 219;EW-Print 1041;Estol 1445;Liponate PO 4;Pentaerythrityltetraoleate;Priolube 1445;Puresyn 4E68;Radia 7171;
EINECS:	242-960-5
Density:	0.927 g/cm³
Boiling Point:	996.035 °C at 760 mmHg
Flash Point:	343.088 °C
PSA:	105.20000
LogP:	24.29560

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Specification

The 9-Octadecenoic acid(9Z)-, 1,1'-[2,2-bis[[[(9Z)-1-oxo-9-octadecenyl]oxy]methyl]-1,3-propanediyl]ester, with the CAS registry number 19321-40-5, is also known as 9-Octadecenoic acid, 2,2-bis(((1-oxo-9-octadecenyl)oxy)methyl)-1,3-propanediyl ester. Its EINECS registry number is 242-960-5. This chemical's molecular formula is C₇₇H₁₄₀O₈ and molecular weight is 1193.9307. Its IUPAC name is called [3-[(Z)-octadec-9-enoyl]oxy-2,2-bis[[(Z)-octadec-9-enoyl]oxymethyl]propyl] (Z)-octadec-9-enoate.

Physical properties of 9-Octadecenoic acid(9Z)-, 1,1'-[2,2-bis[[[(9Z)-1-oxo-9-octadecenyl]oxy]methyl]-1,3-propanediyl]ester: (1)ACD/LogP: 31.94; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 31.93; (4)ACD/LogD (pH 7.4): 31.93; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 8; (10)#Freely Rotating Bonds: 72; (11)Index of Refraction: 1.48; (12)Molar Refractivity: 366.07 cm³; (13)Molar Volume: 1287.9 cm³; (14)Surface Tension: 35.2 dyne/cm; (15)Density: 0.926 g/cm³; (16)Flash Point: 342.9 °C; (17)Enthalpy of Vaporization: 145.5 kJ/mol; (18)Boiling Point: 996 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCCCCC\C=C/CCCCCCCC
(2)InChI: InChI=1/C77H140O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-40H,5-32,41-72H2,1-4H3/b37-33-,38-34-,39-35-,40-36-
(3)InChIKey: QTIMEBJTEBWHOB-PMDAXIHYBD