Hexylresorcinol
TL;DR: Hexylresorcinol (CAS 136-77-6) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hexylbenzene-1,3-diol
Also Known As: hexylresorcinol, 4-Hexylresorcinol, 4-hexylbenzene-1,3-diol, Antascarin, Ascaricid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.13068 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.13068 Da |
| Heavy Atoms | 14 |
| Complexity | 147.0 |
| Melting Point | 154 to 156 °F (NTP, 1992) |
| Boiling Point | 631 °F at 760 mmHg (NTP, 1992) |
| Vapor Pressure | 0.00000845 [mmHg] |
| Refractive Index | Index of refraction = -53 at 20 °C/D (aq HCl) |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| SMILES | CCCCCCC1=C(C=C(C=C1)O)O |
| InChIKey | WFJIVOKAWHGMBH-UHFFFAOYSA-N |
Product Description
Applications: Hexylresorcinol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Hexylresorcinol (CAS 136-77-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Hexylresorcinol (CAS 136-77-6) is a pharmaceutical intermediate with the molecular formula C12H18O2 and a molecular weight of 194.13 g/mol. Key physical properties include a solubility: less than 1 mg/mL at 73 °F (NTP, 1992). It is also known as hexylresorcinol and 4-Hexylresorcinol.
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 Hexylresorcinol
Property Insights of Hexylresorcinol
The XLogP value of 3.5 indicates that Hexylresorcinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Hexylresorcinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexylresorcinol has 2 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 Hexylresorcinol?
The CAS number of Hexylresorcinol is 136-77-6.
What is the molecular formula of Hexylresorcinol?
The molecular formula of Hexylresorcinol is C12H18O2.
What is the molecular weight of Hexylresorcinol?
The molecular weight of Hexylresorcinol is 194.13068 g/mol.
What are the applications of Hexylresorcinol?
Hexylresorcinol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Hexylresorcinol (CAS 136-77-6) with...
Where can I buy Hexylresorcinol?
You can request a quote for Hexylresorcinol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexylresorcinol?
Yes, CoreyChem provides custom synthesis services for Hexylresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.