DODECYLBENZENESULFONIC ACID

Base Information

• Chemical Name: DODECYLBENZENESULFONIC ACID
• CAS No.: 121-65-3
• Deprecated CAS: 144796-95-2
• Molecular Formula: C18H30 O3 S
• Molecular Weight: 326.5
• Hs Code.: 2904100000
• European Community (EC) Number: 204-489-3
• ICSC Number: 1470
• UN Number: 2586
• UNII: OC21S23N1O
• DSSTox Substance ID: DTXSID8050443
• Nikkaji Number: J181.024C
• Wikidata: Q27285559
• Metabolomics Workbench ID: 78517
• ChEMBL ID: CHEMBL2219674
• Mol file: 121-65-3.mol

Synonyms:Benzenesulfonicacid, p-dodecyl- (8CI);4-Dodecylbenzenesulfonic acid;NSC 85535;p-Dodecylbenzenesulfonic acid;

Chemical Property of DODECYLBENZENESULFONIC ACID

Chemical Property:

• Appearance/Colour: off-white powder
• Refractive Index: n20/D 1.51
• Boiling Point: 82 °C
• PKA: -0.45±0.50(Predicted)
• Flash Point: 85 °F
• PSA: 62.75000
• Density: 1.06 g/mL at 20 °C(lit.)
• LogP: 6.47750
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: water, alcohols, glycol ethers, glycols, esters, ketones, aromat
• XLogP3: 7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 326.19156599
• Heavy Atom Count: 22
• Complexity: 351

Purity/Quality:

98%,99%, ^*data from raw suppliers

DodecylbenzenesulfonicAcid(mixtureofisomers)(TechnicalGrade) ^*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:

• Canonical SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion.
• Uses: 4-Dodecylbenzenesulfonic acid (p-dodecylbenzenesulfonic acid, DBSA) may be used:As a solvent for the synthesis of 2-(1,5-diaryl-1,4-pentadien-3-ylidene)-hydrazinecarboximidamide hydrochlorides.In situ coating of rutile nanoparticles.As a stabilizer in the preparation of colloidal CdS.In the fabrication of solid-state dye-sensitized solar cells (DSSCs).

Technology Process of DODECYLBENZENESULFONIC ACID

There total 6 articles about DODECYLBENZENESULFONIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-dodecylbenzene (123-01-3) → para-dodecylbenzenesulfonic acid (121-65-3)

Guidance literature:

With sulfuric acid; sulfur trioxide;

DOI:10.1021/ja01244a052

Reference yield:

dodecanophenone (1674-38-0) → para-dodecylbenzenesulfonic acid (121-65-3)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate; potassium hydroxide; triethylene glycol / 135 °C

2: H₂SO₄; SO₃

With potassium hydroxide; sulfuric acid; sulfur trioxide; hydrazine hydrate; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol;

DOI:10.1021/jo01122a014

Reference yield:

→ para-dodecylbenzenesulfonic acid (121-65-3)

Guidance literature:

With hydrogenchloride; acetic acid; zinc;

DOI:10.1021/ja01145a046

upstream raw materials:

1-dodecylbenzene

4-dodecyl-benzenesulfinic acid

dodecanophenone

Downstream raw materials:

4-Dodecyl-benzenesulfonic acid 2-oxo-pentyl ester

p-dodecylbenzenethiol

C₁₈H₂₉O₃S^(1-)*C₃₁H₄₂N₃⁽¹⁺⁾

1-dodecyl-4-iodobenzene

Refernces

• 1、 Mathevet, Fabrice,Masson, Patrick,Nicoud, Jean-Francois,Skoulios, Antoine. "Smectic liquid crystals from supramolecular guanidinium alkylbenzenesulfonates". . p. 2248 - 2254. Retrieved 2007/10/03.
• 2、 Tsujii, Kaoru,Saito, Naoyuki,Takeuchi, Takashi. "Krafft Points of Anionic Surfactants and Their Mixtures with Special Attention to Their Applicability in Hard Water". . p. 2287 - 2291. Retrieved 2007/10/02.