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
• UNSPSC Code: 85151701
• NACRES: NA.24
• PubChem Substance ID: 329748574
• EC Number: 204-640-3
• Beilstein/REAXYS Number: 1701293
• MDL number: MFCD00009511

Properties

• grade: analytical standard
• Quality Segment: 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.[1]

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.[1][2]

Safety Information

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