Mono(2-ethylhexyl) terephthalate
TL;DR: Mono(2-ethylhexyl) terephthalate (CAS 155603-50-2) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-ethylhexoxycarbonyl)benzoic acid
Also Known As: Mono(2-ethylhexyl) terephthalate, 4-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid, 4-(2-ethylhexoxycarbonyl)benzoic acid, MEHTP, Mono(ethylhexyl)terephthalate
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 155603-50-2 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)O |
| InChIKey | HRUJAEJKCNCOGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mono(2-ethylhexyl) terephthalate (CAS 155603-50-2), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: 4-(2-ethylhexoxycarbonyl)benzoic acid.
Chemical Property Profile of Mono(2-ethylhexyl) terephthalate
Property Insights of Mono(2-ethylhexyl) terephthalate
The XLogP value of 4.4 indicates that Mono(2-ethylhexyl) terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Mono(2-ethylhexyl) terephthalate. Following Lipinski's Rule of Five, Mono(2-ethylhexyl) terephthalate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mono(2-ethylhexyl) terephthalate?
The CAS number of Mono(2-ethylhexyl) terephthalate is 155603-50-2.
What is the molecular formula of Mono(2-ethylhexyl) terephthalate?
The molecular formula of Mono(2-ethylhexyl) terephthalate is C16H22O4.
What is the molecular weight of Mono(2-ethylhexyl) terephthalate?
The molecular weight of Mono(2-ethylhexyl) terephthalate is 278.15 g/mol.
Where can I buy Mono(2-ethylhexyl) terephthalate?
You can request a quote for Mono(2-ethylhexyl) terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono(2-ethylhexyl) terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Mono(2-ethylhexyl) terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.