2-Ethylhexanoic acid

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Systematic / IUPAC Name: 2-Ethylhexanoic acid

ID: Reference6553

Other Names: α-Ethylcaproic acid;
α-Ethylhexanoic acid;
2 Ethyl hexanoic acid;
2-Butylbutanoic acid;
2-Ethylcaproic acid ; more

Formula: C8H16O2

Class: Extractables/Leachables Excipients/Additives/Colorants Industrial Chemicals

Spectral Data

2-Ethylhexanoic 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
No. of Spectral Trees 1
No. of Spectra 105
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/18/2017 8:12:10 AM
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Identificators

InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChI Key OBETXYAYXDNJHR-UHFFFAOYSA-N
Canonical SMILES CCCCC(CC)C(=O)O
CAS 149575
Splash
Other Names α-Ethylcaproic acid;
α-Ethylhexanoic acid;
2 Ethyl hexanoic acid;
2-Butylbutanoic acid;
2-Ethylcaproic acid;
2-Ethylhexansaeure;
2-Ethylhexoic acid;
3-Heptanecarboxylic acid;
Butylethylacetic acid;
Ethyl hexanoic acid, 2-;
Ethylhexoic acid;
Hexanoic acid, 2-ethyl-;
Hexanoic acid,2-ethyl-, tridecyl ester;
Iso-octanoic acid;
2-EHA

In Other Databases

HMDb HMDB31230
ChEBI CHEBI:89058
ChemSpider 8373
LipidsMAPs LMFA01020087
ChemIDPlus 000136527; 000149575; 000301100; 002420986; 000136516; 000136538; 003164850; 000149111; 002155819; 000301086
PubChem 8697
ChEMBL CHEMBL1162485
Wikipedia 2-Ethylhexanoic acid