Phenyl 1-pentadecanesulfonate

Base Information

• Chemical Name: Phenyl 1-pentadecanesulfonate
• CAS No.: 91082-17-6
• Molecular Formula: C21H36O3S
• Molecular Weight: 368.57400
• European Community (EC) Number: 293-728-5
• UNII: Q4FQ4SJ6CW
• ChEMBL ID: CHEMBL3188793
• DSSTox Substance ID: DTXSID00274002
• Nikkaji Number: J71.624C
• Wikidata: Q81977412
• Mol file: 91082-17-6.mol

Synonyms:Phenyl 1-pentadecanesulfonate;91082-17-6;PHENYL PENTADECANE-1-SULFONATE;1-Pentadecanesulfonicacidphenylester;20755-22-0;Q4FQ4SJ6CW;1-Pentadecanesulfonic acid, phenyl ester;UNII-Q4FQ4SJ6CW;T-50;Mesamoll;DSSTox_CID_27526;DSSTox_RID_82396;DSSTox_GSID_47526;SCHEMBL886892;CHEMBL3188793;DTXSID00274002;UDKSLGIUCGAZTK-UHFFFAOYSA-N;Tox21_300331;NCGC00247994-01;NCGC00254254-01;CAS-91082-17-6

Chemical Property of Phenyl 1-pentadecanesulfonate

Chemical Property:

• Refractive Index: n20/D 1.500
• Flash Point: 210 °C
• PSA: 51.75000
• LogP: 7.56720
• Storage Temp.: 2-8°C
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 16
• Exact Mass: 368.23851618
• Heavy Atom Count: 25
• Complexity: 380

Purity/Quality:

99.5%MIN ^*data from raw suppliers

Mesamoll? ^*data from reagent suppliers

Safty Information:

• Statements: 53

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1