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Hexanoic acid

analytical standard

Synonym(s):

Acid C6, Caproic acid

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About This Item

Linear Formula:
CH3(CH2)4COOH
CAS Number:
Molecular Weight:
116.16
Beilstein:
773837
EC Number:
MDL number:
UNSPSC Code:
85151701
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

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

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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.

Pictograms

Corrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1C

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 1

Flash Point(F)

215.6 °F - closed cup

Flash Point(C)

102 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

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HPLC-APCI-MS determination of free fatty acids in Tibet folk medicine lomatogonium rotatum with fluorescence detection and mass spectrometric identification.
Li Y, et al.
Journal of Liquid Chromatography and Related Technologies, 29(18), 2741-2751 (2006)
Mohamed El-Far et al.
Frontiers in immunology, 12, 664371-664371 (2021-05-04)
Despite the success of antiretroviral therapy (ART), people living with HIV (PLWH) are still at higher risk for cardiovascular diseases (CVDs) that are mediated by chronic inflammation. Identification of novel inflammatory mediators with the inherent potential to be used as
Determination of volatile, phenolic, organic acid and sugar components in a Turkish cv. Dortyol (Citrus sinensis L. Osbeck) orange juice.
Kelebek H and Selli S
Journal of the Science of Food and Agriculture, 91(10), 1855-1862 (2011)
A biosynthetic pathway for hexanoic acid production in Kluyveromyces marxianus.
Cheon Y, et al.
Journal of Biotechnology, 182, 30-36 (2014)
Pierre Daumar et al.
Bioconjugate chemistry, 23(8), 1557-1566 (2012-07-13)
Solid tumors often develop an acidic microenvironment, which plays a critical role in tumor progression and is associated with increased level of invasion and metastasis. The 37-residue pH (low) insertion peptide (pHLIP) is under study as an imaging platform because

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