Tween 85

• Catalog Number: ACM9005703
• Product Name: Tween 85
• CAS: 9005-70-3
• Category: Non-ionic Surfactants
• Synonyms: Polyoxyethylene sorbitan trioleate
• IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate
• Molecular Weight: 1019.56
• Molecular Formula: C62H114O10
• InChI: InChI=1S/C14H13NO6S2/c1-19-14(16)13-12(4-5-22-13)23(17,18)15-7-9-2-3-10-11(6-9)21-8-20-10/h2-6,15H,7-8H2,1H3
• InChI Key: KPCLPBLTPXDOIR-UHFFFAOYSA-N
• Boiling Point: 100 °C
• Melting Point: -20 °C
• Density: 1.02 g/mL
• Appearance: Liquid
• Assay: 0.9999
• Complexity: 534
• EC Number: 618-422-4
• Exact Mass: 355.01842948
• Formal Charge: 0
• Heavy Atom Count: 23
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: COC(=O)C1=C(C=CS1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3
• MDL Number: MFCD01779641
• Monoisotopic Mass: 355.01842948
• Packaging: 1 kg
• Rotatable Bond Count: 6
• Storage Conditions: Room temperature
• Topological Polar Surface Area: 128 Ų
• XLogP3-AA: 2.1