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343625

Sigma-Aldrich

7-Oxooctanoic acid

98%

Synonym(s):

7-Ketooctanoic acid

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About This Item

Linear Formula:
CH3CO(CH2)5CO2H
CAS Number:
14112-98-2
Molecular Weight:
158.19
EC Number:
237-967-5
MDL number:
MFCD00075271
UNSPSC Code:
12352100
PubChem Substance ID:
24861182
NACRES:
NA.22

Assay

98%

bp

160-162 °C/4 mmHg (lit.)

mp

27-29 °C (lit.)

functional group

carboxylic acid
ketone

SMILES string

CC(=O)CCCCCC(O)=O

InChI

1S/C8H14O3/c1-7(9)5-3-2-4-6-8(10)11/h2-6H2,1H3,(H,10,11)

InChI key

OSAHCBHKCKPJGI-UHFFFAOYSA-N

Related Categories

General description

7-Oxooctanoic acid is fatty acid formed by the action of acid synthases from acetyl-CoA and malonyl-CoA precursors.

Application

7-Oxooctanoic acid was employed as test compound to investigate the applicability of high-resolution electrospray ionization mass spectrometry to the measurements of average oxygen to carbon ratio (O/C) in secondary organic aerosols. It may be used in the synthesis of hapten, which was used to obtain antibody for the detection of triacetone triperoxide (an improvised explosive). It may be used in the synthesis of “queen substance” of the honey bee.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

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

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Certificates of Analysis (COA)

Lot/Batch Number
0000232884
0000236016
0000210804
56696KJ
08917CE

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Adam P Bateman et al.
Environmental science & technology, 46(15), 8315-8324 (2012-07-04)
The applicability of high-resolution electrospray ionization mass spectrometry (HR ESI-MS) to measurements of the average oxygen to carbon ratio (O/C) in secondary organic aerosols (SOAs) was investigated. Solutions with known average O/C containing up to 10 standard compounds representative of
Maria Astrid Walter et al.
Langmuir : the ACS journal of surfaces and colloids, 26(19), 15418-15423 (2010-09-08)
Triacetone triperoxide (TATP), an improvised explosive, is a potential security threat because of its cost-efficient synthesis and the difficulty in detecting it. A highly selective antibody could provide the necessary specificity to the detection process. To obtain antibodies, a hapten
O A Mamer et al.
Biomedical mass spectrometry, 7(2), 53-57 (1980-02-01)
A patient with recurrent severe hypoglycemia resembling Reye's syndrome was found to have large accumulations of omega -- 1 hydroxy and keto acids in serum and urine that persisted following clinical recovery. A deficiency of mitochondrial medium chain acyl CoA
A Two-Step Synthesis of the ?Queen Substance? of the Honey Bee.
Ebert GW.
Synthetic Communications, 21(14), 1527-1531 (1991)

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