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W255904

Sigma-Aldrich

Hexanoic acid

≥98%, FCC, FG

Synonym(s):

Acid C6, Caproic acid

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About This Item

Linear Formula:
CH3(CH2)4COOH
CAS Number:
142-62-1
Molecular Weight:
116.16
FEMA Number:
2559
Beilstein:
773837
EC Number:
205-550-7
Council of Europe no.:
9c
MDL number:
MFCD00004421
UNSPSC Code:
12164502
PubChem Substance ID:
24901147
Flavis number:
8.009
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Halal
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor density

4 (vs air)

vapor pressure

0.18 mmHg ( 20 °C)

Assay

≥98%

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

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

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General description

Hexanoic acid is a precursor of ethyl caproate, the key flavor constituent of Chinese strong-flavored liquor (CSFL).

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Prokaryotic communities in pit mud from different-aged cellars used for the production of Chinese strong-flavored liquor.
Tao Yong, et al.
Applied and Environmental Microbiology, 80(7), 2254-2260 (2014)
Olfactometry profiles and quantitation of volatile sulfur compounds of Swiss tilsit cheeses.
Fuchsmann P, et al.
Journal of Agricultural and Food Chemistry, 63(34), 7511-7521 (2015)
A C Schoots et al.
Journal of chromatography, 164(1), 1-8 (1979-09-11)
A fast and reliable procedure for gas chromatographic profiling of components in ultrafiltrated uremic serum has been developed, using glass capillary columns. Sample pretreatment consists of ultrafiltration, evaporation and silylation. Some twenty components are identified by electron-impact and chemical ionization
K A Traul et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 38(1), 79-98 (2000-02-24)
Medium chain triglycerides (MCTs) are a family of triglycerides, containing predominantly, caprylic (C(8)) and capric (C(10)) fatty acids with lesser amounts of caproic (C(6)) and lauric (C(12)) fatty acids. MCTs are widely used for parenteral nutrition in individuals requiring supplemental
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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