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75190

Sigma-Aldrich

Heptanoic acid

≥99.0% (GC)

Synonym(s):

Enanthic acid, Oenanthic acid

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About This Item

Linear Formula:
CH3(CH2)5COOH
CAS Number:
111-14-8
Molecular Weight:
130.18
Beilstein:
1744723
EC Number:
203-838-7
MDL number:
MFCD00004426
UNSPSC Code:
12352100
PubChem Substance ID:
57652556
NACRES:
NA.22

vapor density

4.5 (vs air)

Quality Level

200

vapor pressure

<0.1 mmHg ( 20 °C)

Assay

≥99.0% (GC)

form

liquid

expl. lim.

10.1 %

refractive index

n20/D 1.4221 (lit.)
n20/D 1.423

bp

223 °C (lit.)

mp

−10.5 °C (lit.)

density

0.918 g/mL at 25 °C (lit.)

SMILES string

CCCCCCC(O)=O

InChI

1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)

InChI key

MNWFXJYAOYHMED-UHFFFAOYSA-N

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Application

Heptanoic acid can be used:
  • For esterification with glycerol to synthesize a triacylglycerol called as triheptanoin or trienanthoin.
  • To synthesize 1-hexene via decarbonylation reaction by using platinum nanoparticles supported on carbon.
  • To synthesize 7-tridecanone by ketonization in the presence of MnO2/CeO2 or ZrO2 catalysts supported on the surface of alumina.

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H314,H332,H335

Hazard Classifications

Acute Tox. 4 Inhalation - Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 1

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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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Decarboxylative coupling of heptanoic acid. Manganese, cerium and zirconium oxides as catalysts.
Glinski M and Kijenski J
Applied Catalysis A: General, 190(1-2), 87-91 (2000)
Decarbonylation of heptanoic acid over carbon-supported platinum nanoparticles.
Lopez-Ruiz JA and Davis RJ
Green Chemistry, 16(2), 683-694 (2014)
Chemical synthesis of tricaproin, trienantin and tricaprylin.
da Rocha Ataide T, et al.
International Journal of Food Science and Technology, 42(12), 1504-1508 (2007)
Hafiz Umer Javed et al.
Food research international (Ottawa, Ont.), 107, 649-659 (2018-03-28)
The aroma profiles of volatile compounds (VOCs) were analyzed by GC/MS in pre-treated air-dried (PAD) and sun-dried (PSD) raisins during storage. Total 98, 94 and 81 VOCs were identified in Zixiang Seedless raisins (ZSRs), Centennial Seedless raisins (CSRs) and Thompson
Dorrain Y Low et al.
Food & function, 6(8), 2464-2474 (2015-07-29)
Fruits (and vegetables) contain cellular structures that are not degraded by human digestive enzymes. Therefore, the structure of the insoluble fraction of swallowed fruits is mostly retained until intestinal microbial fermentation. In vitro fermentation of mango and banana cell structures
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