Dodecylbenzenesulfonic acid

Base Information

• Chemical Name: Dodecylbenzenesulfonic acid
• CAS No.: 85536-14-7
• Molecular Formula: Unspecified
• Molecular Weight: 326.49
• Hs Code.: 29041000
• European Community (EC) Number: 248-289-4,287-494-3
• UN Number: 2584
• UNII: QMO4A07H35
• DSSTox Substance ID: DTXSID10860152
• Nikkaji Number: J181.022G
• Wikidata: Q27287337
• Metabolomics Workbench ID: 44665
• Mol file: 85536-14-7.mol

Synonyms:deterlon;Dobanic acid 83;dodecyl benzene sulfonic acid sodium;dodecylbenzenesulfonic acid;dodecylbenzenesulfonic acid, potassium salt;dodecylbenzenesulfonic acid, sodium salt;sodium dodecyl benzene sulfonate;sodium dodecylbenzenesulfonate;sodium laurylbenzenesulfonate;sulfanol;sulfanol NP 1;sulfonol

Chemical Property of Dodecylbenzenesulfonic acid

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• Melting Point: 10 °C
• Refractive Index: n20/D 1.51
• Boiling Point: 82 °C
• PKA: 1[at 20 ℃]
• Flash Point: 85 °F
• PSA: 62.75000
• Density: 1.06 g/mL at 20 °C(lit.)
• LogP: 6.47750
• Solubility.: water, alcohols, glycol ethers, glycols, esters, ketones, aromat
• Water Solubility.: 139g/L at 20℃
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 326.19156599
• Heavy Atom Count: 22
• Complexity: 359
• Transport DOT Label: Corrosive

Purity/Quality:

96%, ^*data from raw suppliers

4-Dodecylbenzenesulfonic acid mixture of isomers, ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB,Other Classes -> Benzenesulfonic Acid Derivatives
• Canonical SMILES: CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O