异戊醛
TL;DR: 异戊醛 (CAS 590-86-3) is a chemical compound with molecular formula C5H10O and molecular weight 86.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异戊醛
3-methylbutanal
Also Known As: 3-Methylbutanal, ISOVALERALDEHYDE, Isovaleral, 3-Methylbutyraldehyde, Isopentaldehyde
| Molecular Formula | C5H10O |
|---|---|
| Molecular Weight | 86.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 86.073166 |
| Heavy Atoms | 6 |
| Complexity | 39.0 |
| Melting Point | -51.1 °C |
| Boiling Point | 92.5 °C at 760 mmHg |
| Density | 0.785 at 20.0 °C - Less dense than water; will float |
| Solubility | Slightly soluble in water; soluble in ethanol, ethyl ether |
| Flash Point | 12.8 °C (est.) |
| Vapor Pressure | 50.0 [mmHg] |
| Refractive Index | 1.3902 at 20 °C |
Chemical Identifiers
| CAS Number | 590-86-3 |
|---|---|
| SMILES | CC(C)CC=O |
| InChIKey | YGHRJJRRZDOVPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异戊醛 (CAS 590-86-3), with molecular formula C5H10O and molecular weight 86.07 g/mol. IUPAC: 3-methylbutanal.
Chemical Property Profile of 异戊醛
Property Insights of 异戊醛
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异戊醛. With a topological polar surface area (TPSA) of 17.1 Ų, 异戊醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异戊醛 has 0 hydrogen bond donor(s) and 1 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 异戊醛?
The CAS number of 异戊醛 is 590-86-3.
What is the molecular formula of 异戊醛?
The molecular formula of 异戊醛 is C5H10O.
What is the molecular weight of 异戊醛?
The molecular weight of 异戊醛 is 86.07 g/mol.
Where can I buy 异戊醛?
You can request a quote for 异戊醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异戊醛?
Yes, KEHONG BIO provides custom synthesis services for 异戊醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.