2-甲基戊醛
TL;DR: 2-甲基戊醛 (CAS 123-15-9) is a chemical compound with molecular formula C6H12O and molecular weight 100.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基戊醛
2-methylpentanal
Also Known As: 2-Methylpentanal, 2-Methylvaleraldehyde, Methyl valeraldehyde, Pentanal, 2-methyl-, 2-Formylpentane
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 100.08881 |
| Heavy Atoms | 7 |
| Complexity | 50.0 |
| Melting Point | FP: -100 °C |
| Boiling Point | 117 °C |
| Density | 0.8092 |
| Solubility | Sol in water, ether, acetone, slightly sol in carbon tetrachloride. |
| Flash Point | 20.0 °C (NFPA, 2010) |
| Vapor Pressure | 17.9 [mmHg] |
| Refractive Index | 1.4120 @ 20 °C |
Chemical Identifiers
| CAS Number | 123-15-9 |
|---|---|
| SMILES | CCCC(C)C=O |
| InChIKey | FTZILAQGHINQQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基戊醛 (CAS 123-15-9), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: 2-methylpentanal.
Chemical Property Profile of 2-甲基戊醛
Property Insights of 2-甲基戊醛
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基戊醛. With a topological polar surface area (TPSA) of 17.1 Ų, 2-甲基戊醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基戊醛 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 2-甲基戊醛?
The CAS number of 2-甲基戊醛 is 123-15-9.
What is the molecular formula of 2-甲基戊醛?
The molecular formula of 2-甲基戊醛 is C6H12O.
What is the molecular weight of 2-甲基戊醛?
The molecular weight of 2-甲基戊醛 is 100.09 g/mol.
Where can I buy 2-甲基戊醛?
You can request a quote for 2-甲基戊醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基戊醛?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基戊醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.