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Ethyl hexanoate

analytical standard

Synonym: Caproic acid ethyl ester, Ethyl caproate

  • CAS Number 123-66-0

  • Linear Formula CH3(CH2)4COOC2H5

  • Molecular Weight 144.21

  •  Beilstein/REAXYS Number 1701293

  •  EC Number 204-640-3

  •  MDL number MFCD00009511

  •  PubChem Substance ID 329748574

  •  NACRES NA.24

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Properties

Related Categories A-F, A-L, Alcoholic & Nonalcoholic Beverages, All Alphabetically Sorted, Analytical Standards,
Quality Level   100
grade   analytical standard
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.)
Featured Industry   Cleaning Products
Cosmetics
Flavors and Fragrances
Food and Beverages
Personal Care
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 & Documentation

Safety Information

Symbol 
GHS02  GHS02
Signal word 
Warning
Hazard statements 
Precautionary statements 
RIDADR 
UN 3272 3 / PGIII
WGK Germany 
WGK 1
RTECS 
MO7735000
Flash Point(F) 
127.4 °F - closed cup
Flash Point(C) 
53 °C - closed cup
Protocols & Articles

Articles

GC Analysis of Volatiles in White Wine on VOCOL® after SPME using a 75 μm Carboxen/PDMS Fiber

From our library of Articles, Sigma-Aldrich presents GC Analysis of Volatiles in White Wine on VOCOL® after SPME using a 75 μm Carboxen/PDMS Fiber
Keywords: Chromatography, Gas chromatography, Gas chromatography mass spectrometry, Mass spectrometry, Purification, Solid phase microextractions

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Flavor and Fragrance Analysis

We offer quality product solutions in all three stages of analysis to help achieve fast, accurate results. Below, you can learn more about our workflow solutions for sample preparation, separation, d...
Keywords: Calorimetry, Chromatography, Environmental, Gas chromatography, Mass spectrometry, Pesticides, Sample preparations, Separation

Peer-Reviewed Papers
15

References

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