Triton X-100

Catalog	DGS9002931
CAS	9002-93-1
Structure
Synonyms	Octylphenolpoly(ethyleneglycolether)x
IUPAC Name	2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
Molecular Weight	625
Molecular Formula	C33H60O10
Canonical SMILES	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO
InChI	InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
InChI Key	JYCQQPHGFMYQCF-UHFFFAOYSA-N
Boiling Point	250 °C (lit.)
Melting Point	44-46 °C
Flash Point	535 °F
Density	1.06 g/mL at 20 °C
Solubility	Soluble in water
Aggregation Number	100-155
Average Micellar Weight	80000
Cloud Point	65 °C
Complexity	232
Critical Micelle Concentration	(H₂O) ~ 0.23 mM
Exact Mass	250.193280068
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO
Monoisotopic Mass	250.193280068
pH	6.5-8.5 (25 °C)
Rotatable Bond Count	6
Storage Conditions	Room temperature
Topological Polar Surface Area	29.5 Ų
XLogP3-AA	4.6