ChemicalBook--->CAS DataBase List--->14112-98-2

14112-98-2

14112-98-2 Structure

14112-98-2 Structure
IdentificationBack Directory
[Name]

7-OXOOCTANOIC ACID
[CAS]

14112-98-2
[Synonyms]

7-OXOOCTANOIC ACID
7-ketooctanoic acid
7-Ketocaprylic acid
Octanoic acid, 7-oxo-
7-Oxooctanoic acid 98%
[EINECS(EC#)]

237-967-5
[Molecular Formula]

C8H14O3
[MDL Number]

MFCD00075271
[MOL File]

14112-98-2.mol
[Molecular Weight]

158.2
Chemical PropertiesBack Directory
[Melting point ]

27-29 °C(lit.)
[Boiling point ]

160-162 °C4 mm Hg(lit.)
[density ]

1.0543 (rough estimate)
[refractive index ]

1.4310 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[pka]

4.75±0.10(Predicted)
[Appearance]

White to light yellow <29°C Solid,>30°C Liquid
[InChI]

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

OSAHCBHKCKPJGI-UHFFFAOYSA-N
[SMILES]

CC(=O)CCCCCC(O)=O
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

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.
[Definition]

ChEBI: 7-keto-n-caprylic acid is a medium-chain fatty acid.
[General Description]

7-Oxooctanoic acid is fatty acid formed by the action of acid synthases from acetyl-CoA and malonyl-CoA precursors.
Spectrum DetailBack Directory
[Spectrum Detail]

7-OXOOCTANOIC ACID(14112-98-2)1HNMR
7-OXOOCTANOIC ACID(14112-98-2)Raman
7-OXOOCTANOIC ACID(14112-98-2)IR
7-OXOOCTANOIC ACID(14112-98-2)FT-IR
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