Ethyl 3-hydroxybutyrate

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Systematic / IUPAC Name: Ethyl 3-hydroxybutanoate

ID: Reference6580

Other Names: Grape butyrate;
Butanoic acid, 3-hydroxy, ethyl ester;
Butyric acid, β-hydroxy, ethyl ester;
Butyric acid, 3-hydroxy, ethyl ester;
DL-β-Hydroxy-n-butyric acid ethyl ester ; more

Formula: C6H12O3

Class: Excipients/Additives/Colorants Personal Care Products/Cosmetics

Spectral Data

Ethyl 3-hydroxybutyrate 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 128
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 4/21/2017 8:09:45 AM
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Identificators

InChI InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3
InChI Key OMSUIQOIVADKIM-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)CC(C)O
CAS 5405414
Splash
Other Names Grape butyrate;
Butanoic acid, 3-hydroxy, ethyl ester;
Butyric acid, β-hydroxy, ethyl ester;
Butyric acid, 3-hydroxy, ethyl ester;
DL-β-Hydroxy-n-butyric acid ethyl ester;
DL-3-Hydroxy-n-butyrate ethyl ester;
DL-3-Hydroxy-n-butyric acid ethyl ester;
Ethyl β-hydroxybutyrate;
Ethyl (1)-3-hydroxybutyrate;
Ethyl DL-3-hydroxybutyrate;
Ethyl-3-hydroxybutyrate;
Ethyl-DL-β-hydroxy n-butyrate

In Other Databases

ChEBI CHEBI:87685
ChemIDPlus 005405414; 056816014
ChemSpider 56334
HMDb HMDB40409
PubChem 62572