W255904

Sigma-Aldrich

Hexanoic acid

≥98%, FCC, FG

Synonym(s):
Acid C6, Caproic acid
Linear Formula:
CH3(CH2)4COOH
CAS Number:
Molecular Weight:
116.16
FEMA Number:
2559
Beilstein/REAXYS Number:
773837
EC Number:
Council of Europe no.:
9c
MDL number:
PubChem Substance ID:
Flavis number:
8.009
NACRES:
NA.21

Quality Level

biological source

synthetic

grade

FG
Halal
Kosher

Agency/Method

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.)

Documentation

see Safety & Documentation for available documents

Featured Industry

Flavors and Fragrances

Organoleptic

cheese; fatty; sour

food allergen

no known allergens

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).

Application

Hexanoic acid has been used as a standard during the identification and quantitation of volatile compounds in Swiss Tilsit cheeses by a combination of headspace solid-phase microextraction gas chromatography, mass spectrometry and olfactometry.

Packaging

25 kg in poly drum
5 kg in composite drum
1 kg in aluminum bottle

Other Notes

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Pictograms

CorrosionSkull and crossbones

Signal Word

Danger

Hazard Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN 2829 8 / PGIII

WGK Germany

WGK 1

Flash Point(F)

215.6 °F - closed cup

Flash Point(C)

102 °C - closed cup

  1. Which document(s) contains shelf-life or expiration date information for a given product?

    If available for a given product, the recommended re-test date or the expiration date can be found on the Certificate of Analysis.

  2. How do I get lot-specific information or a Certificate of Analysis?

    The lot specific COA document can be found by entering the lot number above under the "Documents" section.

  3. How do I find price and availability?

    There are several ways to find pricing and availability for our products. Once you log onto our website, you will find the price and availability displayed on the product detail page. You can contact any of our Customer Sales and Service offices to receive a quote.  USA customers:  1-800-325-3010 or view local office numbers.

  4. What is the Department of Transportation shipping information for this product?

    Transportation information can be found in Section 14 of the product's (M)SDS.To access the shipping information for this material, use the link on the product detail page for the product. 

  5. What is the molarity of hexanoic acid?

    Based on density of 0.927 g/mL and MW of 116.16, the effective molarity of this neat liquid is 7.98 M.

  6. My question is not addressed here, how can I contact Technical Service for assistance?

    Ask a Scientist here.

  7. My question is not addressed here, how can I contact Technical Service for assistance?

    Ask a Scientist here.

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)
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)
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...
Przemysław Drzewicz et al.
Environmental science & technology, 46(16), 8984-8991 (2012-07-18)
Large volumes of oil sands process-affected water (OSPW) are produced during the extraction of bitumen from oil sands in Alberta, Canada. The degradation of a model naphthenic acid, cyclohexanoic acid (CHA), and real naphthenic acids (NAs) from OSPW were investigated...
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...
Protocols
In this study, SPME was used for the analysis of free fatty acids in Parmesan cheese using a 65 μm Carbowax/divinylbenzene (DVB) SPME fiber. Headspace extraction of the cheese sample was conducted at 65 °C for 15 minutes and analyzed by GC with FID detection. SPME is ideal for analyzing the volatiles associated with solid food samples. The phase chemistry of the Nukol GC column provides excellent peak shape of acidic compounds.
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