2-Ethylhexyl benzoate
TL;DR: 2-Ethylhexyl benzoate (CAS 5444-75-7) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl benzoate
Also Known As: 2-Ethylhexyl benzoate, Ethylhexyl benzoate, 2-Ethyl-1-hexanol benzoate, Benzoic acid, 2-ethylhexyl ester, 2-Ethylhexylbenzoate
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 207.0 |
| Density | 0.963-0.973 (20°) |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.487-1.497 |
Chemical Identifiers
| CAS Number | 5444-75-7 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1 |
| InChIKey | UADWUILHKRXHMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylhexyl benzoate (CAS 5444-75-7), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: 2-ethylhexyl benzoate.
Chemical Property Profile of 2-Ethylhexyl benzoate
Property Insights of 2-Ethylhexyl benzoate
The XLogP value of 4.5 indicates that 2-Ethylhexyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Ethylhexyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl benzoate has 0 hydrogen bond donor(s) and 2 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 2-Ethylhexyl benzoate?
The CAS number of 2-Ethylhexyl benzoate is 5444-75-7.
What is the molecular formula of 2-Ethylhexyl benzoate?
The molecular formula of 2-Ethylhexyl benzoate is C15H22O2.
What is the molecular weight of 2-Ethylhexyl benzoate?
The molecular weight of 2-Ethylhexyl benzoate is 234.16 g/mol.
Where can I buy 2-Ethylhexyl benzoate?
You can request a quote for 2-Ethylhexyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.