Dibutyl adipate

• Catalog Number: ACM105997-2
• Product Name: Dibutyl adipate
• CAS: 105-99-7
• Category: Polymer/Macromolecule
• 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.
• Synonyms: Butyl adipate
• 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
• InChI Key: XTJFFFGAUHQWII-UHFFFAOYSA-N
• Boiling Point: 305 °C (lit.)
• Melting Point: -32 °C
• Flash Point: >230 °F
• 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.
• Assay: 96%
• Complexity: 202
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 203-350-4
• Exact Mass: 258.18310931
• Features And Benefits: 1. High quality products; 2. Fast delivery; 3. Additional products can be ordered, please contact us for details
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• ICSC Number: 1705
• Isotope Atom Count: 0
• LogP: 4.17
• MDL Number: MFCD00009451
• Monoisotopic Mass: 258.18310931
• NACRES: NA.23
• NSC Number: 8086
• Packaging: Packaging; 250 mL in glass bottle
• Physical State: Liquid
• PubChem ID: 24858733
• Quality Level: 100
• Refractive Index: n20/D 1.436 (lit.)
• Rotatable Bond Count: 13
• Topological Polar Surface Area: 52.6 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• UNII: F4K100DXP3
• UN Number: 3082
• Vapor Density: Relative vapor density (air = 1): 8.9
• Vapor Pressure: Vapor pressure, Pa at 25 °C: 0.021
• XLogP3: 3.1

Custom Q&A

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 258.35 g/mol.

What is the IUPAC name of dibutyl adipate?

The IUPAC name of dibutyl adipate is dibutyl hexanedioate.

What is the InChI of dibutyl adipate?

The InChI of dibutyl adipate is 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.

What is the InChIKey of dibutyl adipate?

The InChIKey of dibutyl adipate is XTJFFFGAUHQWII-UHFFFAOYSA-N.

What is the canonical SMILES of dibutyl adipate?

The canonical SMILES of dibutyl adipate is CCCCOC(=O)CCCCC(=O)OCCCC.

What is the CAS number of dibutyl adipate?

The CAS number of dibutyl adipate is 105-99-7.

What is the European Community (EC) Number of dibutyl adipate?

The European Community (EC) Number of dibutyl adipate is 203-350-4.

What is the UNII of dibutyl adipate?

The UNII of dibutyl adipate is F4K100DXP3.

What is the ChEMBL ID of dibutyl adipate?

The ChEMBL ID of dibutyl adipate is CHEMBL3188143.