Dibutyl Adipate
TL;DR: Dibutyl Adipate (CAS 105-99-7) 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.
dibutyl hexanedioate
Also Known As: DIBUTYL ADIPATE, Dibutyl hexanedioate, Butyl adipate, Di-n-butyl adipate, Cetiol B
| Molecular Formula | C14H26O4 |
|---|---|
| Molecular Weight | 258.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 258.1831 |
| Heavy Atoms | 18 |
| Complexity | 202.0 |
| Melting Point | -38 °C |
| Boiling Point | 183 °C |
| Density | Relative density (water = 1): 0.96 |
| Solubility | Solubility in water, g/100ml at 25 °C: 0.0035 (very poor) |
| Flash Point | 113 °C c.c. |
| Vapor Pressure | Vapor pressure, Pa at 25 °C: 0.021 |
Chemical Identifiers
| CAS Number | 105-99-7 |
|---|---|
| SMILES | CCCCOC(=O)CCCCC(=O)OCCCC |
| InChIKey | XTJFFFGAUHQWII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutyl Adipate (CAS 105-99-7), with molecular formula C14H26O4 and molecular weight 258.18 g/mol. IUPAC: dibutyl hexanedioate.
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
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 258.18 g/mol.
Where can I buy Dibutyl Adipate?
You can request a quote for Dibutyl Adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl Adipate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl Adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.