Mono(2-ethylhexyl) adipate
TL;DR: Mono(2-ethylhexyl) adipate (CAS 4337-65-9) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-ethylhexoxy)-6-oxohexanoic acid
Also Known As: 2-Ethylhexyl hydrogen adipate, Mono(2-ethylhexyl) adipate, 2-ethylhexyl adipate, MEHA, Mono-2-ethylhexyl adipate
| Molecular Formula | C14H26O4 |
|---|---|
| Molecular Weight | 258.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 258.1831 |
| Heavy Atoms | 18 |
| Complexity | 238.0 |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
Chemical Identifiers
| CAS Number | 4337-65-9 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CCCCC(=O)O |
| InChIKey | MBGYSHXGENGTBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mono(2-ethylhexyl) adipate (CAS 4337-65-9), with molecular formula C14H26O4 and molecular weight 258.18 g/mol. IUPAC: 6-(2-ethylhexoxy)-6-oxohexanoic acid.
Chemical Property Profile of Mono(2-ethylhexyl) adipate
Property Insights of Mono(2-ethylhexyl) adipate
The XLogP value of 3.4 indicates that Mono(2-ethylhexyl) adipate 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) adipate. Following Lipinski's Rule of Five, Mono(2-ethylhexyl) adipate 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) adipate?
The CAS number of Mono(2-ethylhexyl) adipate is 4337-65-9.
What is the molecular formula of Mono(2-ethylhexyl) adipate?
The molecular formula of Mono(2-ethylhexyl) adipate is C14H26O4.
What is the molecular weight of Mono(2-ethylhexyl) adipate?
The molecular weight of Mono(2-ethylhexyl) adipate is 258.18 g/mol.
Where can I buy Mono(2-ethylhexyl) adipate?
You can request a quote for Mono(2-ethylhexyl) adipate 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) adipate?
Yes, KEHONG BIO provides custom synthesis services for Mono(2-ethylhexyl) adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.