Mono(2-ethylhexyl) phthalate
TL;DR: Mono(2-ethylhexyl) phthalate (CAS 4376-20-9) 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.
2-(2-ethylhexoxycarbonyl)benzoic acid
Also Known As: Mehp, Mono(2-ethylhexyl) phthalate, 2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid, Monoethylhexyl phthalate, 2-Ethylhexyl hydrogen phthalate
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 4.0 |
| 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 | 314.0 |
| Boiling Point | greater than 300.0 °C at 760 mmHg |
| Density | 1.0688 at 22.8 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
Chemical Identifiers
| CAS Number | 4376-20-9 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | DJDSLBVSSOQSLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mono(2-ethylhexyl) phthalate (CAS 4376-20-9), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: 2-(2-ethylhexoxycarbonyl)benzoic acid.
Chemical Property Profile of Mono(2-ethylhexyl) phthalate
Property Insights of Mono(2-ethylhexyl) phthalate
The XLogP value of 4.0 indicates that Mono(2-ethylhexyl) phthalate 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) phthalate. Following Lipinski's Rule of Five, Mono(2-ethylhexyl) phthalate 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) phthalate?
The CAS number of Mono(2-ethylhexyl) phthalate is 4376-20-9.
What is the molecular formula of Mono(2-ethylhexyl) phthalate?
The molecular formula of Mono(2-ethylhexyl) phthalate is C16H22O4.
What is the molecular weight of Mono(2-ethylhexyl) phthalate?
The molecular weight of Mono(2-ethylhexyl) phthalate is 278.15 g/mol.
Where can I buy Mono(2-ethylhexyl) phthalate?
You can request a quote for Mono(2-ethylhexyl) phthalate 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) phthalate?
Yes, KEHONG BIO provides custom synthesis services for Mono(2-ethylhexyl) phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.