Estragole
TL;DR: Estragole (CAS 140-67-0) is a chemical compound with molecular formula C10H12O and molecular weight 148.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxy-4-prop-2-enylbenzene
Also Known As: Estragole, 4-Allylanisole, p-Allylanisole, Methyl chavicol, Esdragol
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O |
| Molecular Weight | 148.08882 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.08882 Da |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
| Boiling Point | 421 °F at 764 mmHg (NTP, 1992) |
| Density | 0.9645 at 70 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | 178 °F (NTP, 1992) |
| Vapor Pressure | 0.05 [mmHg] |
| Refractive Index | Index of refraction: 1.5195 at 25 °C/D |
| Solubility | Insoluble (<1 mg/ml) (NTP, 1992) |
| SMILES | COC1=CC=C(C=C1)CC=C |
| InChIKey | ZFMSMUAANRJZFM-UHFFFAOYSA-N |
Product Description
Applications: Estragole is used in surfactant and detergent formulations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Estragole (CAS 140-67-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Estragole is a surfactant raw material identified by CAS number 140-67-0 and the molecular formula C10H12O and a molecular weight of 148.09 g/mol. Physically, the compound has a density of 0.9645 at 70 °F (NTP, 1992) - Less dense than water; will float g/cm³, a solubility: Insoluble (<1 mg/ml) (NTP, 1992). It is also known as Estragole and 4-Allylanisole.
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 Estragole
Property Insights of Estragole
The XLogP value of 3.4 indicates that Estragole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Estragole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estragole 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 Estragole?
The CAS number of Estragole is 140-67-0.
What is the molecular formula of Estragole?
The molecular formula of Estragole is C10H12O.
What is the molecular weight of Estragole?
The molecular weight of Estragole is 148.08882 g/mol.
What are the applications of Estragole?
Estragole is used in surfactant and detergent formulations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Estragole (CAS 140-67-0) with custom synthesis available from milligram to...
Where can I buy Estragole?
You can request a quote for Estragole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Estragole?
Yes, CoreyChem provides custom synthesis services for Estragole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.