3-Methoxybutyl acetate
TL;DR: 3-Methoxybutyl acetate (CAS 4435-53-4) is a chemical compound with molecular formula C7H14O3 and molecular weight 146.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxybutyl acetate
Also Known As: 3-METHOXYBUTYL ACETATE, Butoxyl, butoxilo, Acetic Acid 3-Methoxybutyl Ester, 1-Butanol, 3-methoxy-, acetate
| Molecular Formula | C7H14O3 |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.0943 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
| Boiling Point | 135.0 °C at 760 mmHg |
| Density | 0.96 - Less dense than water; will float |
| Flash Point | 76.7 °C |
Chemical Identifiers
| CAS Number | 4435-53-4 |
|---|---|
| SMILES | CC(CCOC(=O)C)OC |
| InChIKey | QMYGFTJCQFEDST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxybutyl acetate (CAS 4435-53-4), with molecular formula C7H14O3 and molecular weight 146.09 g/mol. IUPAC: 3-methoxybutyl acetate.
Chemical Property Profile of 3-Methoxybutyl acetate
Property Insights of 3-Methoxybutyl acetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxybutyl acetate. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Methoxybutyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxybutyl 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 3-Methoxybutyl acetate?
The CAS number of 3-Methoxybutyl acetate is 4435-53-4.
What is the molecular formula of 3-Methoxybutyl acetate?
The molecular formula of 3-Methoxybutyl acetate is C7H14O3.
What is the molecular weight of 3-Methoxybutyl acetate?
The molecular weight of 3-Methoxybutyl acetate is 146.09 g/mol.
Where can I buy 3-Methoxybutyl acetate?
You can request a quote for 3-Methoxybutyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxybutyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxybutyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.