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328-51-8

328-51-8 Structure

328-51-8 Structure
IdentificationBack Directory
[Name]

2-OXOOCTANOIC ACID
[CAS]

328-51-8
[Synonyms]

2-OXOOCTANIC ACID
2-OXOOCTANOIC ACID
2-OXOCAPRYLIC ACID
RARECHEM AL BO 1078
A-ketooctanoic acid
α-ketooctanoic acid
2-Ketocaprylic acid
Octanoic acid, 2-oxo-
ALPHA-KETOCAPRYLIC ACID
2-Oxooctanoic acid >=99.0% (T)
α-Ketooctanoic acid, 2-Oxocaprylic acid
[EINECS(EC#)]

206-331-9
[Molecular Formula]

C8H14O3
[MDL Number]

MFCD00042721
[MOL File]

328-51-8.mol
[Molecular Weight]

158.2
Chemical PropertiesBack Directory
[Melting point ]

33-36 °C
[Boiling point ]

82 °C/0.05 mmHg
[density ]

1.038±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

flakes
[pka]

2.73±0.54(Predicted)
[BRN ]

1757862
[InChI]

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

GPPUPQFYDYLTIY-UHFFFAOYSA-N
[SMILES]

CCCCCCC(=O)C(O)=O
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Definition]

ChEBI: 2-oxooctanoic acid is a 2-oxo monocarboxylic acid that is octanoic acid carrying an oxo group at position 2. It has a role as a surfactant. It is functionally related to an octanoic acid. It is a conjugate acid of a 2-oxooctanoate.
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