Polyoxyl-35 castor oil

Catalog	DGS61791126
CAS	61791-12-6
Synonyms	PEG-35 castor oil; Macrogolglycerol ricinoleate
IUPAC Name	2-[1,3-bis[2-[(Z)-11-hydroxyheptadec-8-enoxy]carbonyloxyethoxy]propan-2-yloxy]ethyl [(Z)-11-hydroxyheptadec-8-enyl] carbonate
Molecular Weight	~2500
InChI	InChI=1S/C63H116O15/c1-4-7-10-31-40-57(64)43-34-25-19-13-16-22-28-37-46-73-61(67)76-51-49-70-55-60(72-53-54-78-63(69)75-48-39-30-24-18-15-21-27-36-45-59(66)42-33-12-9-6-3)56-71-50-52-77-62(68)74-47-38-29-23-17-14-20-26-35-44-58(65)41-32-11-8-5-2/h25-27,34-36,57-60,64-66H,4-24,28-33,37-56H2,1-3H3/b34-25-,35-26-,36-27-
InChI Key	LXZHFNATOMRESM-AAKVHIHISA-N
Density	1.05 g/mL at 20 °C
Appearance	Yellow viscous liquid
Complexity	1310
EC Number	500-151-7
Exact Mass	1112.83142299
Formal Charge	0
Heavy Atom Count	78
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCCCCCC(O)C/C=C\CCCCCCCOC(=O)OCCOCC(OCCOC(=O)OCCCCCCC/C=C\CC(O)CCCCCC)COCCOC(=O)OCCCCCCC/C=C\CC(O)CCCCCC
MDL Number	MFCD00130879
Monoisotopic Mass	1112.83142299
pH	5.0-7.0 (1g/10 mL in H2O)
Rotatable Bond Count	65
Topological Polar Surface Area	195 Ų
XLogP3-AA	18.2