Benzoylacetone
TL;DR: Benzoylacetone (CAS 93-91-4) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenylbutane-1,3-dione
Also Known As: Benzoylacetone, 1-Phenylbutane-1,3-dione, 1-Benzoylacetone, 1-PHENYL-1,3-BUTANEDIONE, Acetoacetophenone
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10O2 |
| Molecular Weight | 162.06808 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.06808 Da |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
| SMILES | CC(=O)CC(=O)C1=CC=CC=C1 |
| InChIKey | CVBUKMMMRLOKQR-UHFFFAOYSA-N |
Product Description
Applications: Benzoylacetone is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. 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).
Benzoylacetone is a polymer intermediate identified by CAS number 93-91-4 and the molecular formula C10H10O2 and a molecular weight of 162.07 g/mol. Synonyms include Benzoylacetone and 1-Phenylbutane-1,3-dione.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzoylacetone
Property Insights of Benzoylacetone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoylacetone. With a topological polar surface area (TPSA) of 34.1 Ų, Benzoylacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoylacetone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoylacetone?
The CAS number of Benzoylacetone is 93-91-4.
What is the molecular formula of Benzoylacetone?
The molecular formula of Benzoylacetone is C10H10O2.
What is the molecular weight of Benzoylacetone?
The molecular weight of Benzoylacetone is 162.06808 g/mol.
What are the applications of Benzoylacetone?
Benzoylacetone is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. 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...
Where can I buy Benzoylacetone?
You can request a quote for Benzoylacetone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoylacetone?
Yes, CoreyChem provides custom synthesis services for Benzoylacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.