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146870

Sigma-Aldrich

Heptanoic acid

96%

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Synonym(s):
Enanthic acid, Oenanthic acid
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:
24848800
NACRES:
NA.22

vapor density

4.5 (vs air)

Quality Level

100

vapor pressure

<0.1 mmHg ( 20 °C)

Assay

96%

form

liquid

expl. lim.

10.1 %

refractive index

n20/D 1.4221 (lit.)

bp

223 °C (lit.)

mp

−10.5 °C (lit.)

solubility

water: soluble 0.2419 g/100ml at 15 °C
DMF: soluble
DMSO: soluble
diethyl ether: soluble
ethanol: soluble

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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General description

Ketonisation of heptanoic acid catalyzed by Mn, Ce and Zr oxides deposited on Al2O3, SiO2 and TiO2 has been studied.

Application

Heptanoic acid has been used as internal standard during gas chromatographic analysis of the butyl esters of volatile acids in microbial fermentation media.

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

WGK

WGK 1

Flash Point(F)

235.4 °F

Flash Point(C)

113 °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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Decarboxylative coupling of heptanoic acid. Manganese, cerium and zirconium oxides as catalysts.
Glinski M and Kijenski J.
Applied Catalysis A: General, 190(1), 87-91 (2000)
J P Salanitro et al.
Applied microbiology, 29(3), 374-381 (1975-03-01)
A method for the preparation and gas chromatographic analysis of the butyl esters of volatile (C-1-C-7) and nonvolatile (lactic, succinic, and fumaric) acids in microbial fermentation media is presented. Butyl esters were prepared from the dry salts of the acids.
Carola Buccellati et al.
The Journal of pharmacology and experimental therapeutics, 317(2), 830-837 (2006-01-10)
Thromboxane (TX) A(2), prostacyclin (PGI(2)), and nitric oxide (NO) regulate platelet function and interaction with the vessel wall. Inhibition of TXA(2), implemented synthesis of PGI(2), and supply of exogenous NO may afford therapeutic benefit. 2NTX-99 [4-methoxy-N(1)-(4-trans-nitrooxycyclohexyl)-N(3)-(3-pyridinylmethyl)-1,3-benzenedicarboxamide], a new chemical entity
L Grislain et al.
European journal of drug metabolism and pharmacokinetics, 15(4), 339-345 (1990-10-01)
After oral administration of amineptine (7-[(10-11)-dihydro-5H-dibenzo(a,d)cycloheptane-5yl] amino heptanoic acid), an original tricyclic antidepressant, seven metabolites were isolated from urine and plasma of rat, dog and man. The metabolic pathways were similar for the three species studied. The two major pathways
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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