Tween 80

Catalog	DGS9005656
CAS	9005-65-6
Synonyms	Polysorbate 80
IUPAC Name	2-[2-[3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl octadec-9-enoate
Molecular Weight	1310
Molecular Formula	C64H124O26
InChI	InChI=1S/C32H60O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(36)40-25-24-37-26-28(38-21-18-33)32-31(41-23-20-35)29(27-42-32)39-22-19-34/h9-10,28-29,31-35H,2-8,11-27H2,1H3
InChI Key	HDTIFOGXOGLRCB-UHFFFAOYSA-N
Boiling Point	>100 °C
Melting Point	-25 °C
Flash Point	>113 °C
Density	1.08 g/mL at 20 °C
Solubility	Soluble in DMSO, ethanol, or petrol ether
Appearance	Viscous amber liquid
Aggregation Number	(H₂O) ~ 58
Cloud Point	65 ºC
Complexity	632
Critical Micelle Concentration	~ 0.012 mM (25ºC)
EC Number	500-019-9
Exact Mass	604.41864811
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(C(CO1)OCCO)OCCO)OCCO
Monoisotopic Mass	604.41864811
pH	5-7 (50 g/L in H₂O, 20 °C)
Rotatable Bond Count	31
Storage Conditions	-20 °C
Topological Polar Surface Area	133 Ų
XLogP3-AA	4.8