80865

Dibutyl sebacate

analytical standard

• Synonym(s): Decanedioic acid dibutyl ester, Sebacic acid dibutyl ester
• Linear Formula: [-(CH₂)₄CO₂(CH₂)₃CH₃]₂
• CAS Number: 109-43-3
• Molecular Weight: 314.46
• Beilstein/REAXYS Number: 1798308
• EC Number: 203-672-5
• MDL number: MFCD00027218
• UNSPSC Code: 85151701
• PubChem Substance ID: 329769114
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• assay: ≥97.0% (GC)
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• refractive index: n20/D 1.440-1.442; n20/D 1.441 (lit.)
• bp: 178-179 °C/3 mmHg (lit.)
• density: 0.936 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• format: neat
• SMILES string: CCCCOC(=O)CCCCCCCCC(=O)OCCCC
• InChI: 1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
• InChI key: PYGXAGIECVVIOZ-UHFFFAOYSA-N

Description

General description

Dibutyl sebacate is a lipophilic compound with low water solubility, obtained as an aliphatic ester[1] of sebacic acid and butyl alcohol.[2][3] It finds applications as a plasticizer used in the production of polyvinylidenechloride film in food packaging.[1] Dibutyl sebacate may be used as a flavoring agent.[4] It reportedly exists as an aroma compound in the volatile oil of seven-lobed Ficus hirta Vahl.[5]

This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food.

Application

Dibutyl sebacate may be used as a plasticizer for the lipo/polymeric membrane components used for the potentiometric electronic tongue (ET) analysis of non-alcoholic beverages to quantify fructose and glucose content, further confirmed by high-performance liquid-chromatography (HPLC) technique.[6] It may also be used as an analytical reference standard for the quantification of the analyte in food products using gas chromatography coupled to mass spectrometry (GC-MS) technique.[7]

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 1
• flash_point_f: 352.4 °F - closed cup
• flash_point_c: 178 °C - closed cup