对甲基苯乙酮
TL;DR: 对甲基苯乙酮 (CAS 122-00-9) is a chemical compound with molecular formula C9H10O and molecular weight 134.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对甲基苯乙酮
1-(4-methylphenyl)ethanone
Also Known As: 4'-Methylacetophenone, 1-(p-Tolyl)ethanone, p-Methylacetophenone, Melilotal, 4-Acetyltoluene
| Molecular Formula | C9H10O |
|---|---|
| Molecular Weight | 134.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.07317 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
| Melting Point | 28 °C |
| Boiling Point | 222.00 to 226.00 °C. @ 756.00 mm Hg |
| Density | 0.999-1.010 |
| Solubility | 0.372 mg/mL at 15 °C |
| Vapor Pressure | 0.22 [mmHg] |
| Refractive Index | 1.530-1.536 |
Chemical Identifiers
| CAS Number | 122-00-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C |
| InChIKey | GNKZMNRKLCTJAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对甲基苯乙酮 (CAS 122-00-9), with molecular formula C9H10O and molecular weight 134.07 g/mol. IUPAC: 1-(4-methylphenyl)ethanone.
Chemical Property Profile of 对甲基苯乙酮
Property Insights of 对甲基苯乙酮
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对甲基苯乙酮. With a topological polar surface area (TPSA) of 17.1 Ų, 对甲基苯乙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对甲基苯乙酮 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 对甲基苯乙酮?
The CAS number of 对甲基苯乙酮 is 122-00-9.
What is the molecular formula of 对甲基苯乙酮?
The molecular formula of 对甲基苯乙酮 is C9H10O.
What is the molecular weight of 对甲基苯乙酮?
The molecular weight of 对甲基苯乙酮 is 134.07 g/mol.
Where can I buy 对甲基苯乙酮?
You can request a quote for 对甲基苯乙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对甲基苯乙酮?
Yes, KEHONG BIO provides custom synthesis services for 对甲基苯乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.