1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester (CAS 75673-16-4) is a chemical compound with molecular formula C22H34O4 and molecular weight 362.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(2-ethylhexyl) 1-O-hexyl benzene-1,2-dicarboxylate
Also Known As: HEXYL 2-ETHYLHEXYL PHTHALATE, 2-Ethylhexyl hexyl phthalate, 1, 2-ethylhexyl hexyl ester, Phthalic acid, hexyl-2-ethylhexyl ester, Hexyl 2-ethylhexyl phthalate(Technical)
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.25 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 75673-16-4 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC |
| InChIKey | BZGXQJVPKYXMDX-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester (CAS 75673-16-4), with molecular formula C22H34O4 and molecular weight 362.25 g/mol. IUPAC: 2-O-(2-ethylhexyl) 1-O-hexyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester
The XLogP value of 6.7 indicates that 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester is 75673-16-4.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester is C22H34O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester is 362.25 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 2-ethylhexyl hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.