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Merck
CN

W255900

Hexanoic acid

greener alternative

natural, ≥99%, FCC, FG

Synonym(s):

Acid C6, Caproic acid

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About This Item

Linear Formula:
CH3(CH2)4COOH
CAS Number:
Molecular Weight:
116.16
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
12164502
FEMA Number:
2559
EC Number:
205-550-7
MDL number:
Beilstein/REAXYS Number:
773837
Organoleptic:
cheese; fatty; sour
Grade:
FG, Fragrance grade, Halal, Kosher, natural
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
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Quality Level

grade

FG, Fragrance grade, Halal, Kosher, natural

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.)

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

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

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).



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pictograms

Corrosion

signalword

Danger

hcodes

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1C

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 1

flash_point_f

215.6 °F - closed cup

flash_point_c

102 °C - closed cup

Regulatory Information

危险化学品

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Global Trade Item Number

SKUGTIN
W255900-25KG-K04061834396727
W255900-10KG-K04061834396710
W255900-1KG-K04061834365587
W255900-SAMPLE-K04061834355403