2-Ethylbutyl acetate
TL;DR: 2-Ethylbutyl acetate (CAS 10031-87-5) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylbutyl acetate
Also Known As: 2-Ethylbutyl acetate, Acetic acid, 2-ethylbutyl ester, 2-ethyl butyl acetate, Butylbutanoat, beta-Ethylbutyl acetate
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
| Melting Point | < -100 °C |
| Boiling Point | 161.00 to 163.00 °C. @ 740.00 mm Hg |
| Density | 0.8784 (20°) |
| Solubility | 6.4 mg/mL at 20 °C |
| Flash Point | 54.4 °C (NFPA, 2010) |
| Refractive Index | 1.4109 |
Chemical Identifiers
| CAS Number | 10031-87-5 |
|---|---|
| SMILES | CCC(CC)COC(=O)C |
| InChIKey | HQLKZWRSOHTERR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylbutyl acetate (CAS 10031-87-5), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 2-ethylbutyl acetate.
Chemical Property Profile of 2-Ethylbutyl acetate
Property Insights of 2-Ethylbutyl acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylbutyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Ethylbutyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylbutyl acetate 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 acetate?
The CAS number of 2-Ethylbutyl acetate is 10031-87-5.
What is the molecular formula of 2-Ethylbutyl acetate?
The molecular formula of 2-Ethylbutyl acetate is C8H16O2.
What is the molecular weight of 2-Ethylbutyl acetate?
The molecular weight of 2-Ethylbutyl acetate is 144.12 g/mol.
Where can I buy 2-Ethylbutyl acetate?
You can request a quote for 2-Ethylbutyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylbutyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylbutyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.