Triton X-100

Catalog Number	ACM9002931-3
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
Complexity	232
Covalently-Bonded Unit Count	1
Critical Micelle Concentration	(H₂O) ~ 0.23 mM
Defined Atom Stereocenter Count	0
Exact Mass	250.193280068
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)
Physical State	Liquid
Rotatable Bond Count	6
Storage Conditions	Room temperature
Topological Polar Surface Area	29.5 Ų

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Triton X-100 (9002-93-1)

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