Dihydrocoumarin
TL;DR: Dihydrocoumarin (CAS 119-84-6) is a chemical compound with molecular formula C9H8O2 and molecular weight 148.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dihydrochromen-2-one
Also Known As: dihydrocoumarin, hydrocoumarin, 3,4-dihydrocoumarin, chroman-2-one, melilotin
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8O2 |
| Molecular Weight | 148.05243 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.05243 Da |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
| Melting Point | 77 °F (NTP, 1992) |
| Boiling Point | 522 °F at 760 mmHg (NTP, 1992) |
| Density | 1.169 at 64 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 266 °F (NTP, 1992) |
| Vapor Pressure | 13.4 mmHg at 77 °F ; 19.5 mmHg at 108 °F; 27.4 mmHg at 145 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.5563 @ 20 °C/D |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C1CC(=O)OC2=CC=CC=C21 |
| InChIKey | VMUXSMXIQBNMGZ-UHFFFAOYSA-N |
Product Description
Applications: Dihydrocoumarin 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).
A heterocyclic building block supplied by CoreyChem, Dihydrocoumarin (CAS 119-84-6) has the molecular formula C9H8O2 and a molecular weight of 148.05 g/mol. Reported properties include a density of 1.169 at 64 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 68 °F (NTP, 1992). Synonyms include dihydrocoumarin and hydrocoumarin.
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 Dihydrocoumarin
Property Insights of Dihydrocoumarin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydrocoumarin. With a topological polar surface area (TPSA) of 26.3 Ų, Dihydrocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydrocoumarin 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 Dihydrocoumarin?
The CAS number of Dihydrocoumarin is 119-84-6.
What is the molecular formula of Dihydrocoumarin?
The molecular formula of Dihydrocoumarin is C9H8O2.
What is the molecular weight of Dihydrocoumarin?
The molecular weight of Dihydrocoumarin is 148.05243 g/mol.
What are the applications of Dihydrocoumarin?
Dihydrocoumarin 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 Dihydrocoumarin?
You can request a quote for Dihydrocoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dihydrocoumarin?
Yes, CoreyChem provides custom synthesis services for Dihydrocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.