343625

7-Oxooctanoic acid

98%

• Synonym(s): 7-Ketooctanoic acid
• 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

Properties

• 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

Description

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.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves