Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) structure

Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)

TL;DR: Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) (CAS 67845-73-2) is a chemical compound with molecular formula C20H43NO5S and molecular weight 409.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

azane;1-(2-ethylhexoxy)-1-oxododecane-2-sulfonic acid

Also Known As: Ammonium 1-(2-ethylhexyl) 2-sulfolaurate, alpha-Sulfo 2-ethylhexyl laurate, ammonium salt, Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt, 1-[(2-ethylhexyl)oxy]-1-oxododecane-2-sulfonic acid ammoniate(1:1), Azanium;1-(2-ethylhexoxy)-1-oxododecane-2-sulfonate

CAS: 67845-73-2
Molecular Formula C20H43NO5S
Molecular Weight 409.29 g/mol
LogP 5.7
Topological Polar Surface Area 90.1 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 18
Exact Mass 409.2862
Heavy Atoms 27
Complexity 442.0

Chemical Identifiers

CAS Number 67845-73-2
SMILES CCCCCCCCCCC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.N
InChIKey WQHYBUXNRMJFFC-UHFFFAOYSA-N

Product Overview

Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) (CAS 67845-73-2), with molecular formula C20H43NO5S and molecular weight 409.29 g/mol. IUPAC: azane;1-(2-ethylhexoxy)-1-oxododecane-2-sulfonic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)

XLogP
5.7
TPSA (Topological Polar Surface Area)
90.1
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
18
Heavy Atoms
27
Complexity
442.0
Exact Mass
409.2862
Monoisotopic Mass
409.2862
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)

The XLogP value of 5.7 indicates that Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1). Following Lipinski's Rule of Five, Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?

The CAS number of Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) is 67845-73-2.

What is the molecular formula of Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?

The molecular formula of Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) is C20H43NO5S.

What is the molecular weight of Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?

The molecular weight of Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) is 409.29 g/mol.

Where can I buy Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?

You can request a quote for Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1)?

Yes, KEHONG BIO provides custom synthesis services for Dodecanoic acid, 2-sulfo-, 1-(2-ethylhexyl) ester, ammonium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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