Phenoxyethanol
TL;DR: Phenoxyethanol (CAS 122-99-6) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenoxyethanol
Also Known As: 2-PHENOXYETHANOL, Phenoxyethanol, Phenyl cellosolve, Phenoxethol, Phenoxytol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10O2 |
| Molecular Weight | 138.06808 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.06808 Da |
| Heavy Atoms | 10 |
| Complexity | 77.0 |
| Purity | ≥99% |
| Melting Point | 57 °F (NTP, 1992) |
| Boiling Point | 473.4 °F at 760 mmHg (NTP, 1992) |
| Density | 1.104 (USCG, 1999) - Denser than water; will sink |
| Flash Point | 250 °F (NTP, 1992) |
| Vapor Pressure | less than 0.01 mmHg at 68 °F ; 1 mmHg at 172.4 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.534 at 20 °C/D |
| Solubility | 10 to 50 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C1=CC=C(C=C1)OCCO |
| InChIKey | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
Product Description
Applications: Phenoxyethanol is used in pharmaceutical synthesis routes and API production, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Product profile: commercial lots are supplied at ≥99%. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Phenoxyethanol is a pharmaceutical intermediate identified by CAS number 122-99-6 and the molecular formula C8H10O2 and a molecular weight of 138.07 g/mol. Physically, the compound has a density of 1.104 (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: 10 to 50 mg/mL at 68 °F (NTP, 1992). Synonyms include 2-PHENOXYETHANOL and Phenoxyethanol.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Safety Information
H302, H318, H335
Chemical Property Profile of Phenoxyethanol
Property Insights of Phenoxyethanol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenoxyethanol. With a topological polar surface area (TPSA) of 29.5 Ų, Phenoxyethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenoxyethanol has 1 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 Phenoxyethanol?
The CAS number of Phenoxyethanol is 122-99-6.
What is the molecular formula of Phenoxyethanol?
The molecular formula of Phenoxyethanol is C8H10O2.
What is the molecular weight of Phenoxyethanol?
The molecular weight of Phenoxyethanol is 138.06808 g/mol.
What are the applications of Phenoxyethanol?
Phenoxyethanol is used in pharmaceutical synthesis routes and API production, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Product profile: commercial lots are supplied at ≥99%. Available from CoreyChem...
Where can I buy Phenoxyethanol?
You can request a quote for Phenoxyethanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenoxyethanol?
Yes, CoreyChem provides custom synthesis services for Phenoxyethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.