Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid
TL;DR: Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid (CAS 70851-03-5) is a chemical compound with molecular formula C30H62O11 and molecular weight 598.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecanoic acid;2-ethylhexanoic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
Also Known As: Dipentaerythritol 2-ethylhexanoate laurate, Dipentaerythritol, ester with lauric acid and 2-ethylhexoic acid, Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid, dodecanoic acid; 2-ethylhexanoic acid; 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol, RefChem:135459
| Molecular Formula | C30H62O11 |
|---|---|
| Molecular Weight | 598.43 g/mol |
| LogP | 3.21 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 25 |
| Exact Mass | 598.4292 |
| Heavy Atoms | 41 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 70851-03-5 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)O.CCCCC(CC)C(=O)O.C(C(CO)(CO)COCC(CO)(CO)CO)O |
| InChIKey | LAEUOCJEHFNLBZ-UHFFFAOYSA-N |
Product Overview
Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid (CAS 70851-03-5), with molecular formula C30H62O11 and molecular weight 598.43 g/mol. IUPAC: dodecanoic acid;2-ethylhexanoic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol.
Chemical Property Profile of Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid
Property Insights of Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid
The XLogP value of 3.21 indicates that Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 205.0 Ų indicates high polarity, suggesting Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid has 8 hydrogen bond donor(s) and 11 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 dipentaerythritol and 2-ethylhexanoic acid?
The CAS number of Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid is 70851-03-5.
What is the molecular formula of Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid?
The molecular formula of Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid is C30H62O11.
What is the molecular weight of Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid?
The molecular weight of Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid is 598.43 g/mol.
Where can I buy Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid?
You can request a quote for Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid 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 dipentaerythritol and 2-ethylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for Dodecanoic acid, mixed esters with dipentaerythritol and 2-ethylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.