2-Ethylbutyl benzoate
TL;DR: 2-Ethylbutyl benzoate (CAS 6305-91-5) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylbutyl benzoate
Also Known As: 2-ethylbutyl benzoate, Benzoic acid, 2-ethylbutyl ester
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 6305-91-5 |
|---|---|
| SMILES | CCC(CC)COC(=O)C1=CC=CC=C1 |
| InChIKey | CCSSRPVVDCBKLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylbutyl benzoate (CAS 6305-91-5), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 2-ethylbutyl benzoate.
Chemical Property Profile of 2-Ethylbutyl benzoate
Property Insights of 2-Ethylbutyl benzoate
The XLogP value of 4.3 indicates that 2-Ethylbutyl 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-Ethylbutyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylbutyl 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-Ethylbutyl benzoate?
The CAS number of 2-Ethylbutyl benzoate is 6305-91-5.
What is the molecular formula of 2-Ethylbutyl benzoate?
The molecular formula of 2-Ethylbutyl benzoate is C13H18O2.
What is the molecular weight of 2-Ethylbutyl benzoate?
The molecular weight of 2-Ethylbutyl benzoate is 206.13 g/mol.
Where can I buy 2-Ethylbutyl benzoate?
You can request a quote for 2-Ethylbutyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylbutyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylbutyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.