Hexanoic acid

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Systematic / IUPAC Name: Hexanoic acid

ID: Reference2710

Other Names: n-Hexoic acid;
Capronic acid;
Hexacid 698;
Hexoic acid;
n-Caproic acid ; more

Formula: C6H12O2

Class: Endogenous Metabolites Extractables/Leachables Excipients/Additives/Colorants Textile Chemicals/Auxiliary/Dyes Industrial Chemicals

Spectral Data

Hexanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP ; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 187
Tandem Spectra MS1, MS2
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 4/28/2017 5:07:14 AM
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Identificators

InChI InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChI Key FUZZWVXGSFPDMH-UHFFFAOYSA-N
Canonical SMILES CCCCCC(=O)O
CAS 142621
Splash
Other Names n-Hexoic acid;
Capronic acid;
Hexacid 698;
Hexoic acid;
n-Caproic acid;
n-Hexanoic acid;
n-Hexylic acid;
1-Hexanoic acid;
1-Pentanecarboxylic acid;
Butylacetic acid;
Caproic acid;
Hexylic acid;
Pentane-1-carboxylic acid;
Pentanecarboxylic acid;
Pentiformic acid;
Pentylformic acid

In Other Databases

LipidsMAPs LMFA01010006
HMDb HMDB00535
ChemIDPlus 000142621; 010051442; 067762361; 068603849; 038708951; 062728896; 070248258; 015773532
Wikipedia Hexanoic acid
KEGG C01585
PubChem 8892
ChemSpider 8552
ChEBI CHEBI:30776