Dibutyl Adipate
TL;DR: Dibutyl Adipate (CAS 105-99-7) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.1831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
己二酸二丁酯
dibutyl hexanedioate
Also Known As: DIBUTYL ADIPATE, Dibutyl hexanedioate, Butyl adipate, Di-n-butyl adipate, Cetiol B
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H26O4 |
| Molecular Weight | 258.1831 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 258.1831 Da |
| Heavy Atoms | 18 |
| Complexity | 202.0 |
| Melting Point | -38 °C |
| Boiling Point | 183 °C |
| Density | Relative density (water = 1): 0.96 |
| Flash Point | 113 °C c.c. |
| Vapor Pressure | Vapor pressure, Pa at 25 °C: 0.021 |
| Solubility | Solubility in water, g/100ml at 25 °C: 0.0035 (very poor) |
| SMILES | CCCCOC(=O)CCCCC(=O)OCCCC |
| InChIKey | XTJFFFGAUHQWII-UHFFFAOYSA-N |
Product Description
Applications: Dibutyl Adipate is used in lubricant and fuel additive formulations, as well as pharmaceutical synthesis routes and API production. 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).
Dibutyl Adipate (CAS 105-99-7) is a lubricant additive intermediate with the molecular formula C14H26O4 and a molecular weight of 258.18 g/mol. Key physical properties include a density of Relative density (water = 1): 0.96 g/cm³, a solubility: Solubility in water, g/100ml at 25 °C: 0.0035 (very poor). Synonyms include DIBUTYL ADIPATE and Dibutyl hexanedioate.
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 Dibutyl Adipate
Property Insights of Dibutyl Adipate
The XLogP value of 3.1 indicates that Dibutyl Adipate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dibutyl Adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl Adipate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dibutyl Adipate?
The CAS number of Dibutyl Adipate is 105-99-7.
What is the molecular formula of Dibutyl Adipate?
The molecular formula of Dibutyl Adipate is C14H26O4.
What is the molecular weight of Dibutyl Adipate?
The molecular weight of Dibutyl Adipate is 258.1831 g/mol.
What are the applications of Dibutyl Adipate?
Dibutyl Adipate is used in lubricant and fuel additive formulations, as well as pharmaceutical synthesis routes and API production. 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 Dibutyl Adipate?
You can request a quote for Dibutyl Adipate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dibutyl Adipate?
Yes, CoreyChem provides custom synthesis services for Dibutyl Adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.