Diisobutyl Adipate
TL;DR: Diisobutyl Adipate (CAS 141-04-8) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropyl) hexanedioate
Also Known As: DIISOBUTYL ADIPATE, Isobutyl adipate, DIBA, Ftaflex DIBA, Plasthall DIBA
| Molecular Formula | C14H26O4 |
|---|---|
| Molecular Weight | 258.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 258.1831 |
| Heavy Atoms | 18 |
| Complexity | 220.0 |
| Melting Point | -20 °C |
| Boiling Point | 278-280 °C |
| Density | 0.9534 g/cu cm @ 19 °C |
| Solubility | Sol in most org solvents; insol in water |
| Vapor Pressure | 0.00563 [mmHg] |
| Refractive Index | 1.4301 @ 20 °C |
Chemical Identifiers
| CAS Number | 141-04-8 |
|---|---|
| SMILES | CC(C)COC(=O)CCCCC(=O)OCC(C)C |
| InChIKey | RDOFJDLLWVCMRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisobutyl Adipate (CAS 141-04-8), with molecular formula C14H26O4 and molecular weight 258.18 g/mol. IUPAC: bis(2-methylpropyl) hexanedioate.
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
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 258.18 g/mol.
Where can I buy Diisobutyl Adipate?
You can request a quote for Diisobutyl Adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisobutyl Adipate?
Yes, KEHONG BIO provides custom synthesis services for Diisobutyl Adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.