1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-(2-methylpropyl) ester
TL;DR: 1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-(2-methylpropyl) ester (CAS 61827-64-3) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(2-ethylhexyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
Also Known As: Isobutyl 2-ethylhexyl phthalate, 2-Ethylhexyl 2-methylpropyl phthalate, 2-ethylhexyl2-methylpropylphthalate, 1, 2-ethylhexyl 2-methylpropyl ester, Phthalic acid, 2-ethylhexyl isobutyl ester
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 61827-64-3 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C |
| InChIKey | GEWZPNMYMLQKGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-(2-methylpropyl) ester (CAS 61827-64-3), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: 2-O-(2-ethylhexyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-(2-methylpropyl) ester
Property Insights of 1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-(2-methylpropyl) ester
The XLogP value of 5.7 indicates that 1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-(2-methylpropyl) 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, 1-(2-ethylhexyl) 2-(2-methylpropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-(2-methylpropyl) 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, 1-(2-ethylhexyl) 2-(2-methylpropyl) ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-(2-methylpropyl) ester is 61827-64-3.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-(2-methylpropyl) ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-(2-methylpropyl) ester is C20H30O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-(2-methylpropyl) ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-(2-methylpropyl) ester is 334.21 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-(2-methylpropyl) ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-(2-methylpropyl) 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, 1-(2-ethylhexyl) 2-(2-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 1-(2-ethylhexyl) 2-(2-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.