| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM105997-2 |
| Product Name | Dibutyl adipate |
| CAS | 105-99-7 |
| Structure |  |
| Synonyms | Butyl adipate |
| Description | Dibutyl adipate (DBA) is a plasticizer and a skin conditioning agent in cosmetics that is a mixture of a diester of butyl alcohol and adipic acid. It is soluble in water and organic solvents and does not absorb radiation in the ultraviolet region. |
| IUPAC Name | Dibutyl hexanedioate |
| Molecular Weight | 258.35 |
| Molecular Formula | [CH2CH2CO2(CH2)3CH3]2 |
| Canonical SMILES | CCCCOC(=O)CCCCC(=O)OCCCC |
| InChI | 1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3 |
| InChIKey | XTJFFFGAUHQWII-UHFFFAOYSA-N |
| Boiling Point | 305 °C (lit.) |
| Melting Point | -32 °C |
| Flash Point | >230 °F |
| Purity | 99%+ |
| Density | 0.962 g/mL at 25 °C (lit.) |
| Solubility | Solubility in water, g/100ml at 25 °C: 0.0035 (very poor) |
| Appearance | Colorless to Almost colorless clear liquid |
| Application | DBA can be used as a plasticizer to produce a mixture with polyvinyl chloride (PVC), which forms soft gel type electro-active materials for soft robotic actuators and adaptive lenses. It may also be used to plasticize polyurethane gels for potential usage in biomedical s. |
| Complexity | 202 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.18310931 |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 258.18310931 |
| Physical State | Liquid |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 52.6 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Vapor Pressure | Vapor pressure, Pa at 25 °C: 0.021 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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