异丙叉丙酮
TL;DR: 异丙叉丙酮 (CAS 141-79-7) is a chemical compound with molecular formula C6H10O and molecular weight 98.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丙叉丙酮
4-methylpent-3-en-2-one
Also Known As: MESITYL OXIDE, 4-Methylpent-3-en-2-one, 4-Methyl-3-penten-2-one, Isopropylideneacetone, Mesityloxid
| Molecular Formula | C6H10O |
|---|---|
| Molecular Weight | 98.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 98.073166 |
| Heavy Atoms | 7 |
| Complexity | 96.0 |
| Melting Point | -46.1 °C |
| Boiling Point | 130.0 °C at 760 mmHg |
| Density | 0.853 at 20.0 °C - Less dense than water; will float |
| Solubility | 3 % (NIOSH, 2024) |
| Flash Point | 22.8 °C |
| Vapor Pressure | 9 mmHg |
| Refractive Index | 1.4425 at 22 °C |
Chemical Identifiers
| CAS Number | 141-79-7 |
|---|---|
| SMILES | CC(=CC(=O)C)C |
| InChIKey | SHOJXDKTYKFBRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丙叉丙酮 (CAS 141-79-7), with molecular formula C6H10O and molecular weight 98.07 g/mol. IUPAC: 4-methylpent-3-en-2-one.
Chemical Property Profile of 异丙叉丙酮
Property Insights of 异丙叉丙酮
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丙叉丙酮. With a topological polar surface area (TPSA) of 17.1 Ų, 异丙叉丙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丙叉丙酮 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 异丙叉丙酮?
The CAS number of 异丙叉丙酮 is 141-79-7.
What is the molecular formula of 异丙叉丙酮?
The molecular formula of 异丙叉丙酮 is C6H10O.
What is the molecular weight of 异丙叉丙酮?
The molecular weight of 异丙叉丙酮 is 98.07 g/mol.
Where can I buy 异丙叉丙酮?
You can request a quote for 异丙叉丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丙叉丙酮?
Yes, KEHONG BIO provides custom synthesis services for 异丙叉丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.