2-Ethylbutyraldehyde
TL;DR: 2-Ethylbutyraldehyde (CAS 97-96-1) 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-ethylbutanal
Also Known As: 2-Ethylbutanal, 2-ETHYLBUTYRALDEHYDE, Diethylacetaldehyde, Butanal, 2-ethyl-, 3-Formylpentane
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 1.5 |
| 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 | 46.0 |
| Melting Point | -89 °C |
| Boiling Point | 116.00 to 117.00 °C. @ 760.00 mm Hg |
| Density | 0.808-0.814 |
| Solubility | miscible with alcohol, ether; soluble in water 1 ml in 50 ml |
| Flash Point | 21.1 °C (NFPA, 2010) |
| Refractive Index | 1.400-1.405 |
Chemical Identifiers
| CAS Number | 97-96-1 |
|---|---|
| SMILES | CCC(CC)C=O |
| InChIKey | UNNGUFMVYQJGTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylbutyraldehyde (CAS 97-96-1), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: 2-ethylbutanal.
Chemical Property Profile of 2-Ethylbutyraldehyde
Property Insights of 2-Ethylbutyraldehyde
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylbutyraldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Ethylbutyraldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylbutyraldehyde 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-Ethylbutyraldehyde?
The CAS number of 2-Ethylbutyraldehyde is 97-96-1.
What is the molecular formula of 2-Ethylbutyraldehyde?
The molecular formula of 2-Ethylbutyraldehyde is C6H12O.
What is the molecular weight of 2-Ethylbutyraldehyde?
The molecular weight of 2-Ethylbutyraldehyde is 100.09 g/mol.
Where can I buy 2-Ethylbutyraldehyde?
You can request a quote for 2-Ethylbutyraldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylbutyraldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylbutyraldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.