CAS No.57675-44-2,2-ethyl-2-[[(1-oxooleyl)oxy]methyl]-1,3-propanediyl dioleate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	57675-44-2
Name:	2-ethyl-2-[[(1-oxooleyl)oxy]methyl]-1,3-propanediyl dioleate

Formula:	C₆₀H₁₁₀O₆
Molecular Weight:	927.5118
Synonyms:	9-Octadecenoicacid (9Z)-, 2-ethyl-2-[[[(9Z)-1-oxo-9-octadecenyl]oxy]methyl]-1,3-propanediylester (9CI);9-Octadecenoic acid (Z)-,2-ethyl-2-[[(1-oxo-9-octadecenyl)oxy]methyl]-1,3-propanediyl ester, (Z)-;Edenor TMP 05;Hatcol 4323;Nissan Unister H 381;Priolube 1427;Trimethylolpropane trioleate;Unister H 381;
EINECS:	260-895-0
Density:	0.918 g/cm³
Boiling Point:	851 °C at 760 mmHg
Flash Point:	311.2 °C
PSA:	71.06000
LogP:	19.13980

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Specification

The CAS register number of Trimethylolpropane trioleate is 57675-44-2. It also can be called as 9-Octadecenoic acid(9Z)-,1,1'-[2-ethyl-2-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]-1,3-propanediyl]ester and the IUPAC name about this chemical is 2,2-bis[[(Z)-octadec-9-enoyl]oxymethyl]butyl (Z)-octadec-9-enoate. The molecular formula about this chemical is C₆₀H₁₁₀O₆ and the molecular weight is 927.5118.

Physical properties about Trimethylolpropane trioleate are: (1)ACD/LogP: 24.90; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 24.9; (4)ACD/LogD (pH 7.4): 24.9; (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: 6; (10)#Freely Rotating Bonds: 55; (11)Polar Surface Area: 78.9Å²; (12)Index of Refraction: 1.477; (13)Molar Refractivity: 285.48 cm³; (14)Molar Volume: 1010.2 cm³; (15)Polarizability: 113.17x10^-24cm³; (16)Surface Tension: 34.5 dyne/cm; (17)Enthalpy of Vaporization: 123.66 kJ/mol; (18)Boiling Point: 851 °C at 760 mmHg; (19)Vapour Pressure: 2.94E-29 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)(CC)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCCCCC\C=C/CCCCCCCC
(2)InChI: InChI=1/C60H110O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-57(61)64-54-60(8-4,55-65-58(62)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-66-59(63)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h27-32H,5-26,33-56H2,1-4H3/b30-27-,31-28-,32-29-
(3)InChIKey: BTGGRPUPMPLZNT-PGEUSFDPBQ
(4)Std. InChI: InChI=1S/C60H110O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-57(61)64-54-60(8-4,55-65-58(62)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-66-59(63)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h27-32H,5-26,33-56H2,1-4H3/b30-27-,31-28-,32-29-
(5)Std. InChIKey: BTGGRPUPMPLZNT-PGEUSFDPSA-N