Isopropyl butyrate
TL;DR: Isopropyl butyrate (CAS 638-11-9) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl butanoate
Also Known As: Isopropyl butyrate, Isopropyl butanoate, propan-2-yl butanoate, Isopropyl n-butyrate, 1-Methylethyl butanoate
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 86.0 |
| Boiling Point | 130.00 to 131.00 °C. @ 760.00 mm Hg |
| Density | 0.863-0.869 (20°) |
| Solubility | very slightly |
| Refractive Index | 1.390-1.396 |
Chemical Identifiers
| CAS Number | 638-11-9 |
|---|---|
| SMILES | CCCC(=O)OC(C)C |
| InChIKey | FFOPEPMHKILNIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl butyrate (CAS 638-11-9), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: propan-2-yl butanoate.
Chemical Property Profile of Isopropyl butyrate
Property Insights of Isopropyl butyrate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl butyrate 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 Isopropyl butyrate?
The CAS number of Isopropyl butyrate is 638-11-9.
What is the molecular formula of Isopropyl butyrate?
The molecular formula of Isopropyl butyrate is C7H14O2.
What is the molecular weight of Isopropyl butyrate?
The molecular weight of Isopropyl butyrate is 130.10 g/mol.
Where can I buy Isopropyl butyrate?
You can request a quote for Isopropyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.