Diisobutyl Adipate
TL;DR: Diisobutyl Adipate (CAS 141-04-8) 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.
bis(2-methylpropyl) hexanedioate
Also Known As: DIISOBUTYL ADIPATE, Isobutyl adipate, DIBA, Ftaflex DIBA, Plasthall DIBA
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 | 3.2 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 258.1831 Da |
| Heavy Atoms | 18 |
| Complexity | 220.0 |
| Melting Point | -20 °C |
| Boiling Point | 278-280 °C |
| Density | 0.9534 g/cu cm @ 19 °C |
| Vapor Pressure | 0.00563 [mmHg] |
| Refractive Index | Index of refraction: 1.4301 @ 20 °C |
| Solubility | Sol in most org solvents; insol in water |
| SMILES | CC(C)COC(=O)CCCCC(=O)OCC(C)C |
| InChIKey | RDOFJDLLWVCMRU-UHFFFAOYSA-N |
Product Description
Applications: Diisobutyl Adipate is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. 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).
Diisobutyl Adipate is a pharmaceutical intermediate identified by CAS number 141-04-8 and the molecular formula C14H26O4 and a molecular weight of 258.18 g/mol. Physically, the compound has a density of 0.9534 g/cu cm @ 19 °C g/cm³, a solubility: Sol in most org solvents; insol in water. Synonyms include DIISOBUTYL ADIPATE and Isobutyl adipate.
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.
Chemical Property Profile of Diisobutyl Adipate
Property Insights of Diisobutyl Adipate
The XLogP value of 3.2 indicates that Diisobutyl 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, Diisobutyl Adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisobutyl 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 Diisobutyl Adipate?
The CAS number of Diisobutyl Adipate is 141-04-8.
What is the molecular formula of Diisobutyl Adipate?
The molecular formula of Diisobutyl Adipate is C14H26O4.
What is the molecular weight of Diisobutyl Adipate?
The molecular weight of Diisobutyl Adipate is 258.1831 g/mol.
What are the applications of Diisobutyl Adipate?
Diisobutyl Adipate is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project...
Where can I buy Diisobutyl Adipate?
You can request a quote for Diisobutyl Adipate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diisobutyl Adipate?
Yes, CoreyChem provides custom synthesis services for Diisobutyl Adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.