[Octylphenoxy] Polyethoxyethanol

Catalog	DGS2497598
CAS	2497-59-8
Structure
Synonyms	3,6,9,12,15,18-Hexaoxaeicosan-1-ol, 20-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-
IUPAC Name	2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Molecular Weight	avg. 603.0
Molecular Formula	C28H50O8
InChI	InChI=1S/C28H50O8/c1-27(2,3)24-28(4,5)25-6-8-26(9-7-25)36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29/h6-9,29H,10-24H2,1-5H3
InChI Key	HNLXNOZHXNSSPN-UHFFFAOYSA-N
Boiling Point	578.0±50.0 °C (Predicted)
Density	1.036±0.06 g/cm³ (Predicted)
Aggregation Number	(H2O) ~ 100-155
Complexity	486
Critical Micelle Concentration	(50mM Na+ solution) ~ 0.05-0.3 mM
Exact Mass	514.35056855
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCO
Monoisotopic Mass	514.35056855
pKa	14.36±0.10 (Predicted)
Rotatable Bond Count	24
Topological Polar Surface Area	84.8 Ų
XLogP3-AA	3.7