Dihydrosafrole
TL;DR: Dihydrosafrole (CAS 94-58-6) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-propyl-1,3-benzodioxole
Also Known As: Dihydrosafrole, 5-Propyl-1,3-benzodioxole, Dihydrosafrol, Safrole, dihydro-, 2',3'-Dihydrosafrole
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
| Boiling Point | 228 °C |
| Density | 1.065 at 25 °C/25 °C |
| Vapor Pressure | 0.05 [mmHg] |
| Refractive Index | Inedx of refraction: 1.5187 at 25 °C/D |
| Solubility | Miscible with ethanol, ether, acetic acid, benzene |
| SMILES | CCCC1=CC2=C(C=C1)OCO2 |
| InChIKey | MYEIDJPOUKASEC-UHFFFAOYSA-N |
Product Description
Applications: Dihydrosafrole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. 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).
Dihydrosafrole is a heterocyclic building block identified by CAS number 94-58-6 and the molecular formula C10H12O2 and a molecular weight of 164.08 g/mol. Physically, the compound has a density of 1.065 at 25 °C/25 °C g/cm³, a solubility: Miscible with ethanol, ether, acetic acid, benzene. Synonyms include Dihydrosafrole and 5-Propyl-1,3-benzodioxole.
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 Dihydrosafrole
Property Insights of Dihydrosafrole
The XLogP value of 3.2 indicates that Dihydrosafrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Dihydrosafrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydrosafrole 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 Dihydrosafrole?
The CAS number of Dihydrosafrole is 94-58-6.
What is the molecular formula of Dihydrosafrole?
The molecular formula of Dihydrosafrole is C10H12O2.
What is the molecular weight of Dihydrosafrole?
The molecular weight of Dihydrosafrole is 164.08372 g/mol.
What are the applications of Dihydrosafrole?
Dihydrosafrole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy Dihydrosafrole?
You can request a quote for Dihydrosafrole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dihydrosafrole?
Yes, CoreyChem provides custom synthesis services for Dihydrosafrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.