21529

Hexanoic acid

analytical standard

• Synonym(s): Acid C₆, Caproic acid
• Linear Formula: CH₃(CH₂)₄COOH
• CAS Number: 142-62-1
• Molecular Weight: 116.16
• Beilstein/REAXYS Number: 773837
• EC Number: 205-550-7
• MDL number: MFCD00004421
• UNSPSC Code: 85151701
• PubChem Substance ID: 329752164
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• vapor density: 4 (vs air)
• vapor pressure: 0.18 mmHg ( 20 °C)
• assay: ≥99.0% (GC)
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• refractive index: n20/D 1.416; n20/D 1.4161 (lit.)
• bp: 202-203 °C (lit.)
• mp: −4 °C (lit.)
• density: 0.927 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; environmental; flavors and fragrances; food and beverages; personal care
• format: neat
• organoleptic: pungent
• SMILES string: CCCCCC(O)=O
• InChI: 1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
• InChI key: FUZZWVXGSFPDMH-UHFFFAOYSA-N

Description

General description

Hexanoic acid is a six-carbon saturated fatty acid found naturally in oils and animal fats as well as produced by certain anaerobic bacteria. It has been widely used in industrial applications such as perfumes, medicine, food additives, lubricating grease, tobacco flavor, rubber, and dyes.

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

Find all available reference materials for compounds listed in 10/2011 here

Application

Hexanoic acid may be used as a reference standard for the determination of the analyte:

• In Dortyol yerli orange juices by high performance liquid chromatography method
• In Lomatogonium rotatum, a herbal medicine sample using acridone-9-ethyl-p-toluenesulfonate (AETS) as a fluorescence derivatization reagent by high performance liquid chromatography (HPLC).

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

Recommended products

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Safety Information

• pictograms: GHS05
• signalword: Danger
• hcodes: H314
• pcodes: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Hazard Classifications: Eye Dam. 1 - Skin Corr. 1C
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 1
• flash_point_f: 215.6 °F - closed cup
• flash_point_c: 102 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter