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

Details

Stereochemistry RACEMIC
Molecular Formula C6H12O2
Molecular Weight 116.1583
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-METHYLBUTYRATE

SMILES

CCC(C)C(=O)OC

InChI

InChIKey=OCWLYWIFNDCWRZ-UHFFFAOYSA-N
InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Expression profiling of potato germplasm differentiated in quality traits leads to the identification of candidate flavour and texture genes.
2008
Volatile profiling reveals intracellular metabolic changes in Aspergillus parasiticus: veA regulates branched chain amino acid and ethanol metabolism.
2010 Aug 24
Branched-chain and aromatic amino acid catabolism into aroma volatiles in Cucumis melo L. fruit.
2010 Feb
Aroma profile and volatiles odor activity along gold cultivar pineapple flesh.
2010 Nov-Dec
Patents
Name Type Language
METHYL 2-METHYLBUTYRATE
FCC   FHFI  
Systematic Name English
2-METHYLBUTANOIC ACID METHYL ESTER
Systematic Name English
METHYL ANTEISOVALERATE
Common Name English
METHYL 2-METHYLBUTANOATE
Systematic Name English
METHYL .ALPHA.-METHYLBUTYRATE
Systematic Name English
FEMA NO. 2719
Code English
METHYL DL-.ALPHA.-METHYLBUTYRATE
Common Name English
BUTYRIC ACID, .ALPHA.-METHYL-, METHYL ESTER
Common Name English
BUTYRIC ACID, 2-METHYL-, METHYL ESTER
Common Name English
.ALPHA.-METHYLBUTYRIC ACID METHYL ESTER
Systematic Name English
METHYL .ALPHA.-METHYLBUTANOATE
Systematic Name English
BUTANOIC ACID, 2-METHYL-, METHYL ESTER
Common Name English
METHYL 2-METHYLBUTYRATE [FHFI]
Common Name English
(±)-METHYL .ALPHA.-METHYLBUTYRATE
Systematic Name English
METHYL 2-METHYLBUTYRATE [FCC]
Common Name English
(±)-METHYL 2-METHYLBUTANOATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION METHYL 2-METHYLBUTYRATE
Created by admin on Fri Dec 15 18:01:27 GMT 2023 , Edited by admin on Fri Dec 15 18:01:27 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:01:27 GMT 2023 , Edited by admin on Fri Dec 15 18:01:27 GMT 2023
Code System Code Type Description
SMS_ID
100000173903
Created by admin on Fri Dec 15 18:01:27 GMT 2023 , Edited by admin on Fri Dec 15 18:01:27 GMT 2023
PRIMARY
PUBCHEM
13357
Created by admin on Fri Dec 15 18:01:27 GMT 2023 , Edited by admin on Fri Dec 15 18:01:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
212-778-0
Created by admin on Fri Dec 15 18:01:27 GMT 2023 , Edited by admin on Fri Dec 15 18:01:27 GMT 2023
PRIMARY
CAS
868-57-5
Created by admin on Fri Dec 15 18:01:27 GMT 2023 , Edited by admin on Fri Dec 15 18:01:27 GMT 2023
PRIMARY
FDA UNII
OLG4D4939V
Created by admin on Fri Dec 15 18:01:27 GMT 2023 , Edited by admin on Fri Dec 15 18:01:27 GMT 2023
PRIMARY
JECFA MONOGRAPH
195
Created by admin on Fri Dec 15 18:01:27 GMT 2023 , Edited by admin on Fri Dec 15 18:01:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID1052587
Created by admin on Fri Dec 15 18:01:27 GMT 2023 , Edited by admin on Fri Dec 15 18:01:27 GMT 2023
PRIMARY