2-Butoxy-1-methylethyl acetate
TL;DR: 2-Butoxy-1-methylethyl acetate (CAS 86880-38-8) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butoxypropan-2-yl acetate
Also Known As: 1-butoxypropan-2-yl acetate, 2-Butoxy-1-methylethyl acetate, 1-Butoxy-2-propanol acetate, EINECS 287-147-6, 2-butoxy-1-methylethylacetate
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 86880-38-8 |
|---|---|
| SMILES | CCCCOCC(C)OC(=O)C |
| InChIKey | FUWDFGKRNIDKAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butoxy-1-methylethyl acetate (CAS 86880-38-8), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 1-butoxypropan-2-yl acetate.
Chemical Property Profile of 2-Butoxy-1-methylethyl acetate
Property Insights of 2-Butoxy-1-methylethyl acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butoxy-1-methylethyl acetate. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Butoxy-1-methylethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butoxy-1-methylethyl acetate has 0 hydrogen bond donor(s) and 3 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-Butoxy-1-methylethyl acetate?
The CAS number of 2-Butoxy-1-methylethyl acetate is 86880-38-8.
What is the molecular formula of 2-Butoxy-1-methylethyl acetate?
The molecular formula of 2-Butoxy-1-methylethyl acetate is C9H18O3.
What is the molecular weight of 2-Butoxy-1-methylethyl acetate?
The molecular weight of 2-Butoxy-1-methylethyl acetate is 174.13 g/mol.
Where can I buy 2-Butoxy-1-methylethyl acetate?
You can request a quote for 2-Butoxy-1-methylethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butoxy-1-methylethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Butoxy-1-methylethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.