3,6,9,12,15,18,21,24-Octaoxahexatriacontan-1-ol

Catalog	DGS3055989
CAS	3055-98-9
Structure
Synonyms	Octaethylene glycol monododecyl ether; C12E8
IUPAC Name	2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Molecular Weight	538.8
Molecular Formula	C28H58O9
InChI	InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3
InChI Key	YYELLDKEOUKVIQ-UHFFFAOYSA-N
Boiling Point	585.5±45.0 °C (Predicted)
Purity	≥95%
Solubility	DMF: 30 mg/mL; DMSO: 15 mg/mL; Ethanol: 30 mg/mL; PBS (pH 7.2): 1 mg/mL
Appearance	A crystalline solid
Aggregation Number	(H2O) ~123
Complexity	389
Critical Micelle Concentration	(0.01 M TES, pH 7.5, 0.05 M NaCl, 0.1 mM CaCl2) ~ 0.09 mM
EC Number	696-071-6
Exact Mass	538.40808342
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
Monoisotopic Mass	538.40808342
pKa	14.36±0.10 (Predicted)
Rotatable Bond Count	34
Shipping	Room temperature
Stability	≥2 years
Storage Conditions	-20 °C
Topological Polar Surface Area	94.1 Ų
XLogP3-AA	4.1