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Merck
CN

75190

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57652556
EC Number:
203-838-7
Beilstein/REAXYS Number:
1744723
MDL number:
MFCD00004426

Key Documents

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Product Name

Heptanoic acid, ≥99.0% (GC)

InChI key

MNWFXJYAOYHMED-UHFFFAOYSA-N

InChI

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

SMILES string

CCCCCCC(O)=O

vapor density

4.5 (vs air)

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.)

functional group

carboxylic acid

Quality Level

200

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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

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 1

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCL7120
BCCM3752
BCCL4144
BCCH1726
BCCJ4528

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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)
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)
Decarbonylation of heptanoic acid over carbon-supported platinum nanoparticles.
Lopez-Ruiz JA and Davis RJ
Green Chemistry, 16(2), 683-694 (2014)
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
Lara A Skelton et al.
Physiological reports, 3(3) (2015-03-18)
The renal proximal tubule (PT) plays a major role in whole-body pH homeostasis by secreting H(+) into the tubule lumen. Previous work demonstrated that PTs respond to basolateral changes in [CO2] and [HCO3-] by appropriately altering H(+) secretion-responses blocked by
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