Acetyl Tributyl Citrate
TL;DR: Acetyl Tributyl Citrate (CAS 77-90-7) is a chemical compound with molecular formula C20H34O8 and molecular weight 402.22537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
Also Known As: ACETYL TRIBUTYL CITRATE, Acetyltributyl citrate, Citroflex A, Tributyl acetylcitrate, Blo-trol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H34O8 |
| Molecular Weight | 402.22537 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 402.22537 Da |
| Heavy Atoms | 28 |
| Complexity | 476.0 |
| Melting Point | -80 °C |
| Boiling Point | 331 °C at 732 mm Hg |
| Density | 1.046 at 25 °C |
| Flash Point | 204 °C |
| Vapor Pressure | 0.00000455 [mmHg] |
| Refractive Index | Index of refraction= 1.4408 at 25 °C |
| Solubility | In water, 5 mg/L, temp not specified |
| SMILES | CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C |
| InChIKey | QZCLKYGREBVARF-UHFFFAOYSA-N |
Product Description
Applications: Acetyl Tributyl Citrate 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Acetyl Tributyl Citrate (CAS 77-90-7) is a pharmaceutical intermediate with the molecular formula C20H34O8 and a molecular weight of 402.23 g/mol. Key physical properties include a density of 1.046 at 25 °C g/cm³, a solubility: In water, 5 mg/L, temp not specified. Synonyms include ACETYL TRIBUTYL CITRATE and Acetyltributyl 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 Tributyl Citrate
Property Insights of Acetyl Tributyl Citrate
The XLogP value of 3.3 indicates that Acetyl Tributyl Citrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyl Tributyl Citrate. Following Lipinski's Rule of Five, Acetyl Tributyl 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 Tributyl Citrate?
The CAS number of Acetyl Tributyl Citrate is 77-90-7.
What is the molecular formula of Acetyl Tributyl Citrate?
The molecular formula of Acetyl Tributyl Citrate is C20H34O8.
What is the molecular weight of Acetyl Tributyl Citrate?
The molecular weight of Acetyl Tributyl Citrate is 402.22537 g/mol.
What are the applications of Acetyl Tributyl Citrate?
Acetyl Tributyl Citrate 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. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Acetyl Tributyl Citrate?
You can request a quote for Acetyl Tributyl Citrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetyl Tributyl Citrate?
Yes, CoreyChem provides custom synthesis services for Acetyl Tributyl Citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.