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Safety Information

21530

Sigma-Aldrich

Hexanoic acid

purum, ≥98.0% (GC)

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
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.)

functional group

carboxylic acid

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

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

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
WXBD0114V
WXBC9730V
WXBC8417V
WXBC8416V
WXBC6176V

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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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    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.

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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
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
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