Triton X-100

Base Information

• Chemical Name: Triton X-100
• CAS No.: 9063-89-2
• Deprecated CAS: 1322-96-9
• Molecular Formula: (C2H4 O)n C14 H22 O
• Molecular Weight: 0
• European Community (EC) Number: 618-344-0,618-604-3,621-345-9,686-527-2
• NSC Number: 406472,5259
• UNII: 20CAX7IO75
• DSSTox Substance ID: DTXSID1058680
• Nikkaji Number: J1.219.380G
• Wikipedia: Triton_X-100
• Wikidata: Q27253450
• NCI Thesaurus Code: C80935
• RXCUI: 1426395,1426398
• ChEMBL ID: CHEMBL39763
• Mol file: 9063-89-2.mol

Synonyms:Octoxinol;Octoxinols;Octoxynol;Octoxynol 9;Octoxynol-9;Octoxynols;Octylphenoxy Polyethoxyethanol;Octylphenoxypolyethoxyethanols;Polyethoxyethanol, Octylphenoxy;Triton X 100;Triton X 305;Triton X 45;Triton X-100;Triton X-305;Triton X-45;Triton X100;Triton X305;Triton X45

Chemical Property of Triton X-100

Chemical Property:

• PSA: 29.46000
• LogP: 3.96070
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 250.193280068
• Heavy Atom Count: 18
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polyoxyethylenes
• Canonical SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO