Dodecanoic acid, 2-sulfoethyl ester

Base Information

• Chemical Name: Dodecanoic acid, 2-sulfoethyl ester
• CAS No.: 56022-49-2
• Molecular Formula: C14H28 O5 S
• Molecular Weight: 308.439
• European Community (EC) Number: 259-949-6
• UNII: 81I2ZCR5CC
• DSSTox Substance ID: DTXSID7069077
• Nikkaji Number: J296.545C
• Wikidata: Q81995868
• Mol file: 56022-49-2.mol

Synonyms:2-Sulphoethyl laurate;Dodecanoic acid, 2-sulfoethyl ester;56022-49-2;2-dodecanoyloxyethanesulfonic acid;lauroyl isethionate;2-sulfoethyl laurate;81I2ZCR5CC;EINECS 259-949-6;lauroyl isethionic acid;UNII-81I2ZCR5CC;SCHEMBL3288784;2-SULFOETHYL DODECANOATE;DTXSID7069077;DODECANOIC ACID 2-SULFOETHYL ESTER;LS-194571

Chemical Property of Dodecanoic acid, 2-sulfoethyl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 89.05000
• Density: 1.095g/cm³
• LogP: 4.41910
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 308.16574516
• Heavy Atom Count: 20
• Complexity: 332

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)OCCS(=O)(=O)O

Technology Process of Dodecanoic acid, 2-sulfoethyl ester

There total 2 articles about Dodecanoic acid, 2-sulfoethyl ester 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:

lauric acid (143-07-7) + sodium 2-hydroxyethanesulfonate (1562-00-1) → 2-sulfoethyl laurate (56022-49-2)

Guidance literature:

Multistep reaction; (i) SOCl₂, (ii) /BRN= 3633992/;

DOI:10.1246/bcsj.43.2236

Reference yield:

→ 2-sulfoethyl laurate (56022-49-2)

Guidance literature:

aus Laurinsaeure und Natriumisothionat;

DOI:10.1246/bcsj.43.2236

upstream raw materials:

lauric acid

sodium 2-hydroxyethanesulfonate