Merck
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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:
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

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).

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

Pictograms

CorrosionSkull and crossbones

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Skin Corr. 1C

Storage Class Code

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

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

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

Protocols

GC Analysis of Free Fatty Acids in Parmesan Cheese using Nukol™ after SPME using 65 μm Carbowax/DVB Fiber

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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