Acetophenone
TL;DR: Acetophenone (CAS 98-86-2) is a chemical compound with molecular formula C8H8O and molecular weight 120.05752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenylethanone
Also Known As: ACETOPHENONE, 1-Phenylethanone, Acetylbenzene, Phenyl methyl ketone, Methyl phenyl ketone
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8O |
| Molecular Weight | 120.05752 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.05752 Da |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
| Melting Point | 67.5 °F (USCG, 1999) |
| Boiling Point | 395.1 °F at 760 mmHg (USCG, 1999) |
| Density | 1.028 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 180 °F (USCG, 1999) |
| Vapor Pressure | 0.39 [mmHg] |
| Refractive Index | Index of refraction: 1.5372 at 20 °C/D |
| Solubility | In water, 6,130 mg/L at 25 °C |
| SMILES | CC(=O)C1=CC=CC=C1 |
| InChIKey | KWOLFJPFCHCOCG-UHFFFAOYSA-N |
Product Description
Applications: Acetophenone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Acetophenone is a heterocyclic building block identified by CAS number 98-86-2 and the molecular formula C8H8O and a molecular weight of 120.06 g/mol. Physically, the compound has a density of 1.028 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: In water, 6,130 mg/L at 25 °C. Synonyms include ACETOPHENONE and 1-Phenylethanone.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Acetophenone
Property Insights of Acetophenone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, Acetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetophenone 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
What is the CAS number of Acetophenone?
The CAS number of Acetophenone is 98-86-2.
What is the molecular formula of Acetophenone?
The molecular formula of Acetophenone is C8H8O.
What is the molecular weight of Acetophenone?
The molecular weight of Acetophenone is 120.05752 g/mol.
What are the applications of Acetophenone?
Acetophenone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Acetophenone?
You can request a quote for Acetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetophenone?
Yes, CoreyChem provides custom synthesis services for Acetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.