Acetyl Triethyl Citrate
TL;DR: Acetyl Triethyl Citrate (CAS 77-89-4) is a chemical compound with molecular formula C14H22O8 and molecular weight 318.13147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
triethyl 2-acetyloxypropane-1,2,3-tricarboxylate
Also Known As: Acetyl triethyl citrate, Acetyltriethyl citrate, Triethyl O-acetylcitrate, Citroflex A 2, ATEC
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H22O8 |
| Molecular Weight | 318.13147 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 318.13147 Da |
| Heavy Atoms | 22 |
| Complexity | 395.0 |
| Melting Point | -40 °C |
| Boiling Point | 137 °C @760 [mm Hg] |
| Density | 1.135 @ 20°C |
| Vapor Pressure | 0.01 [mm Hg] @20 °C |
| SMILES | CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C |
| InChIKey | WEAPVABOECTMGR-UHFFFAOYSA-N |
Product Description
Applications: Acetyl Triethyl Citrate 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Acetyl Triethyl Citrate (CAS 77-89-4) has the molecular formula C14H22O8 and a molecular weight of 318.13 g/mol. Reported properties include a density of 1.135 @ 20°C g/cm³. Synonyms include Acetyl triethyl citrate and Acetyltriethyl citrate.
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 Acetyl Triethyl Citrate
Property Insights of Acetyl Triethyl Citrate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl Triethyl Citrate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyl Triethyl Citrate. Following Lipinski's Rule of Five, Acetyl Triethyl Citrate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetyl Triethyl Citrate?
The CAS number of Acetyl Triethyl Citrate is 77-89-4.
What is the molecular formula of Acetyl Triethyl Citrate?
The molecular formula of Acetyl Triethyl Citrate is C14H22O8.
What is the molecular weight of Acetyl Triethyl Citrate?
The molecular weight of Acetyl Triethyl Citrate is 318.13147 g/mol.
What are the applications of Acetyl Triethyl Citrate?
Acetyl Triethyl Citrate 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton...
Where can I buy Acetyl Triethyl Citrate?
You can request a quote for Acetyl Triethyl Citrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetyl Triethyl Citrate?
Yes, CoreyChem provides custom synthesis services for Acetyl Triethyl Citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.