Pentaerythritol tetra(2-hexyldecanoate)
TL;DR: Pentaerythritol tetra(2-hexyldecanoate) (CAS 60623-04-3) is a chemical compound with molecular formula C69H132O8 and molecular weight 1088.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-hexyldecanoyloxy)-2,2-bis(2-hexyldecanoyloxymethyl)propyl] 2-hexyldecanoate
Also Known As: Pentaerythritol tetra(2-hexyldecanoate), 2,2-BIS[[(2-HEXYL-1-OXODECYL)OXY]METHYL]-1,3-PROPANEDIYL BIS(2-HEXYLDECANOATE), 2,2-bis[[ oxy]methyl]-1,3-propanediylbis, [3-(2-hexyldecanoyloxy)-2,2-bis(2-hexyldecanoyloxymethyl)propyl] 2-hexyldecanoate, 2,2-Bis(((2-hexyl-1-oxodecyl)oxy)methyl)-1,3-propanediyl bis(2-hexyldecanoate)
| Molecular Formula | C69H132O8 |
|---|---|
| Molecular Weight | 1088.99 g/mol |
| LogP | 28.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 64 |
| Exact Mass | 1088.9922 |
| Heavy Atoms | 77 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 60623-04-3 |
|---|---|
| SMILES | CCCCCCCCC(CCCCCC)C(=O)OCC(COC(=O)C(CCCCCC)CCCCCCCC)(COC(=O)C(CCCCCC)CCCCCCCC)COC(=O)C(CCCCCC)CCCCCCCC |
| InChIKey | MQKQEJQNRSFRLA-UHFFFAOYSA-N |
Product Overview
Pentaerythritol tetra(2-hexyldecanoate) (CAS 60623-04-3), with molecular formula C69H132O8 and molecular weight 1088.99 g/mol. IUPAC: [3-(2-hexyldecanoyloxy)-2,2-bis(2-hexyldecanoyloxymethyl)propyl] 2-hexyldecanoate.
Chemical Property Profile of Pentaerythritol tetra(2-hexyldecanoate)
Property Insights of Pentaerythritol tetra(2-hexyldecanoate)
The XLogP value of 28.6 indicates that Pentaerythritol tetra(2-hexyldecanoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythritol tetra(2-hexyldecanoate). Following Lipinski's Rule of Five, Pentaerythritol tetra(2-hexyldecanoate) has 0 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 Pentaerythritol tetra(2-hexyldecanoate)?
The CAS number of Pentaerythritol tetra(2-hexyldecanoate) is 60623-04-3.
What is the molecular formula of Pentaerythritol tetra(2-hexyldecanoate)?
The molecular formula of Pentaerythritol tetra(2-hexyldecanoate) is C69H132O8.
What is the molecular weight of Pentaerythritol tetra(2-hexyldecanoate)?
The molecular weight of Pentaerythritol tetra(2-hexyldecanoate) is 1088.99 g/mol.
Where can I buy Pentaerythritol tetra(2-hexyldecanoate)?
You can request a quote for Pentaerythritol tetra(2-hexyldecanoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol tetra(2-hexyldecanoate)?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol tetra(2-hexyldecanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.