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Details

Stereochemistry RACEMIC
Molecular Formula C5H10O3
Molecular Weight 118.1311
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-HYDROXYBUTYRATE

SMILES

COC(=O)CC(C)O

InChI

InChIKey=LDLDJEAVRNAEBW-UHFFFAOYSA-N
InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
From terpenoids to aliphatic acids: further evidence for late-instar switch in osmeterial defense as a characteristic trait of swallowtail butterflies in the tribe papilionini.
2006 Sep
Rapid microwave assisted esterification method for the analysis of poly-3-hydroxybutyrate in Alcaligenes latus by gas chromatography.
2007 Jun 22
Use of headspace solid-phase microextraction for the quantification of poly(3-hydroxybutyrate) in microbial cells.
2007 Jun 22
New automated and high-throughput quantitative analysis of urinary ketones by multifiber exchange-solid phase microextraction coupled to fast gas chromatography/negative chemical-electron ionization/mass spectrometry.
2010
Enatiomerically pure hydroxycarboxylic acids: current approaches and future perspectives.
2010 Jun
Patents
Name Type Language
METHYL 3-HYDROXYBUTYRATE
Systematic Name English
BUTANOIC ACID, 3-HYDROXY-, METHYL ESTER
Common Name English
3-HYDROXYBUTYRIC ACID METHYL ESTER
Systematic Name English
FEMA NO. 4450, (±)-
Code English
BUTYRIC ACID, 3-HYDROXY-, METHYL ESTER
Common Name English
(±)-METHYL 3-HYDROXYBUTANOATE
Systematic Name English
METHYL .BETA.-HYDROXYBUTYRATE
Systematic Name English
METHYL (RS)-3-HYDROXYBUTYRATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION METHYL 3-HYDROXYBUTYRATE
Created by admin on Sat Dec 16 01:04:41 GMT 2023 , Edited by admin on Sat Dec 16 01:04:41 GMT 2023
Code System Code Type Description
FDA UNII
S36O46U3EA
Created by admin on Sat Dec 16 01:04:41 GMT 2023 , Edited by admin on Sat Dec 16 01:04:41 GMT 2023
PRIMARY
JECFA MONOGRAPH
1925
Created by admin on Sat Dec 16 01:04:41 GMT 2023 , Edited by admin on Sat Dec 16 01:04:41 GMT 2023
PRIMARY
CAS
1487-49-6
Created by admin on Sat Dec 16 01:04:41 GMT 2023 , Edited by admin on Sat Dec 16 01:04:41 GMT 2023
PRIMARY
PUBCHEM
15146
Created by admin on Sat Dec 16 01:04:41 GMT 2023 , Edited by admin on Sat Dec 16 01:04:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID70862677
Created by admin on Sat Dec 16 01:04:41 GMT 2023 , Edited by admin on Sat Dec 16 01:04:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-068-1
Created by admin on Sat Dec 16 01:04:41 GMT 2023 , Edited by admin on Sat Dec 16 01:04:41 GMT 2023
PRIMARY