Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol
TL;DR: Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol (CAS 70693-35-5) is a chemical compound with molecular formula C25H52O8 and molecular weight 480.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)propane-1,3-diol;dodecanoic acid;2-ethylhexanoic acid
Also Known As: Pentaerythritol 2-ethylhexanoate laurate, Pentaerythritol, esters with lauric acid and 2-ethylhexoic acid, Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol, 2,2-bis(hydroxymethyl)propane-1,3-diol; dodecanoic acid; 2-ethylhexanoic acid, RefChem:135458
| Molecular Formula | C25H52O8 |
|---|---|
| Molecular Weight | 480.37 g/mol |
| LogP | 4.22 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 480.3662 |
| Heavy Atoms | 33 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 70693-35-5 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)O.CCCCC(CC)C(=O)O.C(C(CO)(CO)CO)O |
| InChIKey | CEQSIPAEUGWOTF-UHFFFAOYSA-N |
Product Overview
Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol (CAS 70693-35-5), with molecular formula C25H52O8 and molecular weight 480.37 g/mol. IUPAC: 2,2-bis(hydroxymethyl)propane-1,3-diol;dodecanoic acid;2-ethylhexanoic acid.
Chemical Property Profile of Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol
Property Insights of Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol
The XLogP value of 4.22 indicates that Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol?
The CAS number of Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol is 70693-35-5.
What is the molecular formula of Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol?
The molecular formula of Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol is C25H52O8.
What is the molecular weight of Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol?
The molecular weight of Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol is 480.37 g/mol.
Where can I buy Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol?
You can request a quote for Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol?
Yes, KEHONG BIO provides custom synthesis services for Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and pentaerythritol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.