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21530

Sigma-Aldrich

Hexanoic acid

purum, ≥98.0% (GC)

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Synonym(s):
Acid C6, Caproic acid
Linear Formula:
CH3(CH2)4COOH
CAS Number:
142-62-1
Molecular Weight:
116.16
Beilstein:
773837
EC Number:
205-550-7
MDL number:
MFCD00004421
UNSPSC Code:
12352100
PubChem Substance ID:
329752165
NACRES:
NA.22

vapor density

4 (vs air)

Quality Level

200

vapor pressure

0.18 mmHg ( 20 °C)

grade

purum

Assay

≥98.0% (GC)

refractive index

n20/D 1.416
n20/D 1.4161 (lit.)

bp

202-203 °C (lit.)
203-205 °C

mp

−4 °C (lit.)

solubility

water: slightly soluble 1.082g/100g(lit.)
diethyl ether: soluble(lit.)
ethanol: soluble(lit.)

density

0.927 g/mL at 25 °C (lit.)

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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Related Categories

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1C

WGK

WGK 1

Flash Point(F)

215.6 °F

Flash Point(C)

102 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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

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  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.

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A study on the stability of MCM-41-supported heteropoly acids under liquid-and gas-phase esterification conditions.
Verhoef MJ, et al.
Microporous and Mesoporous Materials : The Official Journal of the International Zeolite Association, 27(2), 365-371 (1999)
Acyl migration in 1, 2-dibutyrin dependence on solvent and water activity.
Sjursnes BJ and Anthonsen T.
Biocatalysis and Biotransformation, 9(1-4), 285-297 (1994)
Formation of ultrathin polypyrrole (PPY) films on alumina particles using adsorbed hexanoic acid as a template.
Cho G, et al.
Langmuir, 16(10), 4424-4429 (2000)
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
Elizabeth B Brown et al.
eLife, 10 (2021-05-06)
Chemosensory systems are critical for evaluating the caloric value and potential toxicity of food. While animals can discriminate between thousands of odors, much less is known about the discriminative capabilities of taste systems. Fats and sugars represent calorically potent and
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