08375

Ethyl hexanoate

analytical standard

• Synonym(s): Caproic acid ethyl ester, Ethyl caproate
• Linear Formula: CH₃(CH₂)₄COOC₂H₅
• CAS Number: 123-66-0
• Molecular Weight: 144.21
• Beilstein/REAXYS Number: 1701293
• EC Number: 204-640-3
• MDL number: MFCD00009511
• UNSPSC Code: 85151701
• PubChem Substance ID: 329748574
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• vapor density: 5 (vs air)
• assay: ≥99.0% (GC)
• shelf life: limited shelf life, expiry date on the label
• impurities: ≤0.2% water
• refractive index: n20/D 1.406-1.408; n20/D 1.407 (lit.)
• bp: 168 °C (lit.)
• density: 0.869 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• format: neat
• SMILES string: CCCCCC(=O)OCC
• InChI: 1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
• InChI key: SHZIWNPUGXLXDT-UHFFFAOYSA-N

Description

General description

Ethyl hexanoate, an ester, is a volatile aroma and fragrance compound which impacts the quality and flavor of wine, beer and Japanese sake.

Application

Ethyl hexanoate may be used as an analytical reference standard for the determination of the analyte in wine and beer samples by chromatography based techniques.

Safety Information

• pictograms: GHS02
• signalword: Warning
• hcodes: H226
• pcodes: P210 - P370 + P378
• Hazard Classifications: Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 127.4 °F - closed cup
• flash_point_c: 53 °C - closed cup