W255900

Hexanoic acid

natural, ≥99%, FCC, FG

• Synonym(s): Acid C₆, Caproic acid
• Linear Formula: CH₃(CH₂)₄COOH
• CAS Number: 142-62-1
• Molecular Weight: 116.16
• FEMA Number: 2559
• Beilstein/REAXYS Number: 773837
• EC Number: 205-550-7
• MDL number: MFCD00004421
• UNSPSC Code: 12164502
• PubChem Substance ID: 329830441
• NACRES: NA.21

Properties

• grade: FG; Fragrance grade; Halal; Kosher; natural
• Quality Level: 400
• agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR 117
• vapor density: 4 (vs air)
• vapor pressure: 0.18 mmHg ( 20 °C)
• assay: ≥99%
• greener alternative product characteristics: Less Hazardous Chemical Syntheses; Use of Renewable Feedstocks; Learn more about the Principles of Green Chemistry.
• sustainability: Greener Alternative Product
• refractive index: 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): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• greener alternative category: Aligned
• organoleptic: cheese; fatty; sour
• 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

Application

• Determination of pesticide residues in soybeans using QuEChERS followed by deep eutectic solvent-based DLLME preconcentration prior to gas chromatography-mass spectrometry analysis.: This study presents a method for detecting pesticide residues in soybeans, involving the use of hexanoic acid in the extraction process, which enhances sensitivity and accuracy in residue analysis (Petrarca et al., 2024).

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