Caprylic acid

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Systematic / IUPAC Name: Octanoic acid

ID: Reference2704

Other Names: n-Octoic acid;
Enantic acid;
Hexacid 898;
Kortacid 0899;
Lunac 8-98 ; more

Formula: C8H16O2

Class: Endogenous Metabolites Extractables/Leachables Excipients/Additives/Colorants Personal Care Products/Cosmetics Industrial Chemicals Textile Chemicals/Auxiliary/Dyes Pesticides/Herbicides Therapeutics/Prescription Drugs Natural Products/Medicines

Spectral Data

Caprylic 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 Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 161
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 8/2/2016 7:10:01 AM
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Identificators

InChI InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChI Key WWZKQHOCKIZLMA-UHFFFAOYSA-N
Canonical SMILES CCCCCCCC(=O)O
CAS 124072
Splash
Other Names n-Octoic acid;
Enantic acid;
Hexacid 898;
Kortacid 0899;
Lunac 8-98;
Neo-fat 8;
Octic acid;
Octoic acid;
Prifac 2901;
n-Caprylic acid;
n-Octanoic acid;
n-Octylic acid;
1-Heptanecarboxylic acid;
1-Octanoic acid;
Heptane-1-carboxylic acid;
Octylic acid;
OCA

In Other Databases

ChEBI CHEBI:28837
ChemSpider 370
Wikipedia Caprylic acid
LipidsMAPs LMFA01010008
KEGG C06423; D05220
PubChem 379
DrugBank DB04519
HMDb HMDB00482
ChemIDPlus 000557095; 000764716; 001984061; 002191108; 000124072; 000074817; 001912830; 003130287; 002641567; 001588790