METHYL 3-HYDROXYBUTYRATE

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

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

Show entries

Title	Date	PubMed
Enthalpy change on mixing a couple of S- and R-enantiomers of some chiral compounds at 298.15 K.	2006 Aug	16642496

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Patents

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Name

Type

Language

METHYL 3-HYDROXYBUTYRATE

Systematic Name

English

FEMA NO. 4450, (±)-

Preferred Name

English

BUTANOIC ACID, 3-HYDROXY-, METHYL ESTER

Common Name

English

3-HYDROXYBUTYRIC ACID METHYL ESTER

Systematic Name

English

BUTYRIC ACID, 3-HYDROXY-, METHYL ESTER

Common Name

English

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

METHYL 3-HYDROXYBUTYRATE

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Code System

Code

Type

Description

FDA UNII

S36O46U3EA

PRIMARY

JECFA MONOGRAPH

1925

PRIMARY

CAS

1487-49-6

PRIMARY

PUBCHEM

15146

PRIMARY

EPA CompTox

DTXSID70862677

PRIMARY

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SUBSTANCE RECORD


					S36O46U3EA

METHYL 3-HYDROXYBUTYRATE