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About This Item
Linear Formula:
CH3CO(CH2)4CO2H
CAS Number:
Molecular Weight:
144.17
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
grade
technical grade
Assay
90%
form
solid
bp
158-162 °C/9 mmHg (lit.)
mp
35-37 °C (lit.)
density
1.059 g/mL at 25 °C (lit.)
functional group
carboxylic acid
ketone
SMILES string
CC(=O)CCCCC(O)=O
InChI
1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2-5H2,1H3,(H,9,10)
InChI key
IZOQMUVIDMLRDC-UHFFFAOYSA-N
Related Categories
General description
6-Oxoheptanoic acid is a monocarboxylic acid with acyl functional group. Mass spectrometric characterization of 6-oxoheptanoic acid by electrospray ionization coupled to a triple quadrupole and TOF analyzer hybrid system has been reported.
Application
6-Oxoheptanoic acid may be used in the following studies:
- As ketone linker used for the conjugation of hydrazide derivatives to proteins.
- Synthesis of N-(2-propynyl)-6-oxoheptanamide.
- Synthesis of adenosine triphosphate derivative.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
Storage Class Code
8A - Combustible corrosive hazardous materials
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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Tetrahedron, 56(35), 6501-6510 (2000)
A Safavy et al.
Bioconjugate chemistry, 10(1), 18-23 (1999-01-20)
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Mass spectrometric characterization of small oxocarboxylic acids and gas phase ion fragmentation mechanisms studied by electrospray triple quadrupole-MS/MS-TOF system and DFT theory.
Kanawati B, et al.
International Journal of Mass Spectrometry, 266(1), 97-113 (2007)
Erik Selander et al.
Proceedings of the National Academy of Sciences of the United States of America, 112(20), 6395-6400 (2015-04-29)
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