Ethyl 3-methyl-3-phenylglycidate
TL;DR: Ethyl 3-methyl-3-phenylglycidate (CAS 77-83-8) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-methyl-3-phenyloxirane-2-carboxylate
Also Known As: Strawberry aldehyde, Fraeseol, ETHYL METHYLPHENYLGLYCIDATE, Ethyl 3-methyl-3-phenylglycidate, Aldehyde C-16
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.0943 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 Da |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
| Boiling Point | 522 to 527 °F at 760 mmHg (NTP, 1992) |
| Density | 1.104 to 1.123 at 68 °F (NTP, 1992) |
| Flash Point | greater than 200 °F (NTP, 1992) |
| Refractive Index | INDEX OF REFRACTION: 1.5182 @ 20 °C |
| Solubility | Insoluble (<1 mg/ml at 68 °F) (NTP, 1992) |
| SMILES | CCOC(=O)C1C(O1)(C)C2=CC=CC=C2 |
| InChIKey | LQKRYVGRPXFFAV-UHFFFAOYSA-N |
Product Description
Applications: Ethyl 3-methyl-3-phenylglycidate is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl 3-methyl-3-phenylglycidate (CAS 77-83-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Ethyl 3-methyl-3-phenylglycidate is a pharmaceutical intermediate identified by CAS number 77-83-8 and the molecular formula C12H14O3 and a molecular weight of 206.09 g/mol. Physically, the compound has a density of 1.104 to 1.123 at 68 °F (NTP, 1992) g/cm³, a solubility: Insoluble (<1 mg/ml at 68 °F) (NTP, 1992). It is also known as Strawberry aldehyde and Fraeseol.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethyl 3-methyl-3-phenylglycidate
Property Insights of Ethyl 3-methyl-3-phenylglycidate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-methyl-3-phenylglycidate. With a topological polar surface area (TPSA) of 38.8 Ų, Ethyl 3-methyl-3-phenylglycidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methyl-3-phenylglycidate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 3-methyl-3-phenylglycidate?
The CAS number of Ethyl 3-methyl-3-phenylglycidate is 77-83-8.
What is the molecular formula of Ethyl 3-methyl-3-phenylglycidate?
The molecular formula of Ethyl 3-methyl-3-phenylglycidate is C12H14O3.
What is the molecular weight of Ethyl 3-methyl-3-phenylglycidate?
The molecular weight of Ethyl 3-methyl-3-phenylglycidate is 206.0943 g/mol.
What are the applications of Ethyl 3-methyl-3-phenylglycidate?
Ethyl 3-methyl-3-phenylglycidate is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl 3-methyl-3-phenylglycidate (CAS 77-83-8) with custom...
Where can I buy Ethyl 3-methyl-3-phenylglycidate?
You can request a quote for Ethyl 3-methyl-3-phenylglycidate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-methyl-3-phenylglycidate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-methyl-3-phenylglycidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.