U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

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 UTC 2023 , Edited by admin on Sat Dec 16 01:04:41 UTC 2023
Code System Code Type Description
FDA UNII
S36O46U3EA
Created by admin on Sat Dec 16 01:04:41 UTC 2023 , Edited by admin on Sat Dec 16 01:04:41 UTC 2023
PRIMARY
JECFA MONOGRAPH
1925
Created by admin on Sat Dec 16 01:04:41 UTC 2023 , Edited by admin on Sat Dec 16 01:04:41 UTC 2023
PRIMARY
CAS
1487-49-6
Created by admin on Sat Dec 16 01:04:41 UTC 2023 , Edited by admin on Sat Dec 16 01:04:41 UTC 2023
PRIMARY
PUBCHEM
15146
Created by admin on Sat Dec 16 01:04:41 UTC 2023 , Edited by admin on Sat Dec 16 01:04:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID70862677
Created by admin on Sat Dec 16 01:04:41 UTC 2023 , Edited by admin on Sat Dec 16 01:04:41 UTC 2023
PRIMARY
ECHA (EC/EINECS)
216-068-1
Created by admin on Sat Dec 16 01:04:41 UTC 2023 , Edited by admin on Sat Dec 16 01:04:41 UTC 2023
PRIMARY