1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester (CAS 61827-62-1) is a chemical compound with molecular formula C22H34O4 and molecular weight 362.2457 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-hexyl 2-O-octyl benzene-1,2-dicarboxylate
Also Known As: Hexyl octyl phthalate, Phthalic acid, hexyl octyl ester, phthalic acid hexyl octyl ester, Phthalic acid, hexyloctyl ester, 1,2-Benzenedicarboxylic acid, hexyl octyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H34O4 |
| Molecular Weight | 362.2457 g/mol |
| XLogP | 8.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 362.2457 Da |
| Heavy Atoms | 26 |
| Complexity | 380.0 |
| SMILES | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC |
| InChIKey | LZCTXAGBGKLUBX-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester
The XLogP value of 8.0 indicates that 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl 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-hexyl 2-octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester is 61827-62-1.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester is C22H34O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester is 362.2457 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester?
Yes, CoreyChem provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.