2-Oxooctanoic acid
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2-Oxooctanoic acid
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CAS No:
328-51-8
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Formula:
C8H14O3
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Chemical Name:
2-Oxooctanoic acid
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Synonyms:
Octanoic acid,2-oxo-;Caprylic acid,α-oxo-;2-Oxooctanoic acid;α-Ketocaprylic acid;α-Oxocaprylic acid;2-Ketooctanoic acid;α-Ketooctanoic acid;α-Ketooctoic acid;α-Oxooctanoic acid;2-Oxo-n-octanoic acid;NSC 950;861513-55-5
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CAS No:
Description
Solid
Solid
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 derives from an octanoic acid. It is a conjugate acid of a 2-oxooctanoate.
Safety Information
NONH for all modes of transport
3
22-36/37/38
26
Xn: Harmful;
P261-P305 + P351 + P338
H302-H315-H319-H335
2-Oxooctanoic acid Use and Manufacturing
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Computed Properties
Molecular Weight:158.19
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:158.094294304
Monoisotopic Mass:158.094294304
Topological Polar Surface Area:54.4
Heavy Atom Count:11
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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