Methyl 2-ethylhexyl phthalate
TL;DR: Methyl 2-ethylhexyl phthalate (CAS 56167-77-2) is a chemical compound with molecular formula C17H24O4 and molecular weight 292.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(2-ethylhexyl) 1-O-methyl benzene-1,2-dicarboxylate
Also Known As: Methyl 2-ethylhexyl phthalate, 2-Ethylhexyl methyl phthalate, methyl-2-ethylhexyl phthalate, 1-(2-ethylhexyl) 2-methyl benzene-1,2-dicarboxylate, 1-(2-Ethylhexyl) 2-methyl phthalate
| Molecular Formula | C17H24O4 |
|---|---|
| Molecular Weight | 292.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 292.16745 |
| Heavy Atoms | 21 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 56167-77-2 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OC |
| InChIKey | MQYNKBGLFNKJPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-ethylhexyl phthalate (CAS 56167-77-2), with molecular formula C17H24O4 and molecular weight 292.17 g/mol. IUPAC: 2-O-(2-ethylhexyl) 1-O-methyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Methyl 2-ethylhexyl phthalate
Property Insights of Methyl 2-ethylhexyl phthalate
The XLogP value of 4.3 indicates that Methyl 2-ethylhexyl phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2-ethylhexyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-ethylhexyl phthalate has 0 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 Methyl 2-ethylhexyl phthalate?
The CAS number of Methyl 2-ethylhexyl phthalate is 56167-77-2.
What is the molecular formula of Methyl 2-ethylhexyl phthalate?
The molecular formula of Methyl 2-ethylhexyl phthalate is C17H24O4.
What is the molecular weight of Methyl 2-ethylhexyl phthalate?
The molecular weight of Methyl 2-ethylhexyl phthalate is 292.17 g/mol.
Where can I buy Methyl 2-ethylhexyl phthalate?
You can request a quote for Methyl 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 Methyl 2-ethylhexyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-ethylhexyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.