1-Phenylethanol
TL;DR: 1-Phenylethanol (CAS 98-85-1) is a chemical compound with molecular formula C8H10O and molecular weight 122.073166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenylethanol
Also Known As: 1-Phenylethanol, Styrallyl alcohol, 1-Phenylethan-1-ol, ALPHA-METHYLBENZYL ALCOHOL, Styralyl alcohol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10O |
| Molecular Weight | 122.073166 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.073166 Da |
| Heavy Atoms | 9 |
| Complexity | 74.0 |
| Melting Point | 68 °F (NTP, 1992) |
| Boiling Point | 399 °F at 745 mmHg (NTP, 1992) |
| Density | 1.015 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 185 °F (NTP, 1992) |
| Vapor Pressure | 0.1 mmHg at 68 °F ; 1 mmHg at 120.2 °F; 5 mmHg at 167.4 °F (NTP, 1992) |
| Refractive Index | Refractive index = 1.525-1.529 at 20 °C |
| Solubility | less than 1 mg/mL at 67.1 °F (NTP, 1992) |
| SMILES | CC(C1=CC=CC=C1)O |
| InChIKey | WAPNOHKVXSQRPX-UHFFFAOYSA-N |
Product Description
Applications: 1-Phenylethanol 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 1-Phenylethanol (CAS 98-85-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-Phenylethanol is a pharmaceutical intermediate identified by CAS number 98-85-1 and the molecular formula C8H10O and a molecular weight of 122.07 g/mol. Physically, the compound has a density of 1.015 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 67.1 °F (NTP, 1992). It is also known as 1-Phenylethanol and Styrallyl alcohol.
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 1-Phenylethanol
Property Insights of 1-Phenylethanol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylethanol. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Phenylethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylethanol has 1 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 1-Phenylethanol?
The CAS number of 1-Phenylethanol is 98-85-1.
What is the molecular formula of 1-Phenylethanol?
The molecular formula of 1-Phenylethanol is C8H10O.
What is the molecular weight of 1-Phenylethanol?
The molecular weight of 1-Phenylethanol is 122.073166 g/mol.
What are the applications of 1-Phenylethanol?
1-Phenylethanol 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 1-Phenylethanol (CAS 98-85-1) with...
Where can I buy 1-Phenylethanol?
You can request a quote for 1-Phenylethanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Phenylethanol?
Yes, CoreyChem provides custom synthesis services for 1-Phenylethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.