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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

Molecular Formula C6H12O2
Molecular Weight 116.1583
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Aroma profile and volatiles odor activity along gold cultivar pineapple flesh.
2011-05-04
Volatile profiling reveals intracellular metabolic changes in Aspergillus parasiticus: veA regulates branched chain amino acid and ethanol metabolism.
2010-08-24
Influence of modified atmosphere packaging on volatile compounds and physicochemical and antioxidant attributes of fresh-cut pineapple (Ananas comosus).
2010-04-28
Branched-chain and aromatic amino acid catabolism into aroma volatiles in Cucumis melo L. fruit.
2010-02
Expression profiling of potato germplasm differentiated in quality traits leads to the identification of candidate flavour and texture genes.
2008
Odor-active constituents in fresh pineapple (Ananas comosus [L.] Merr.) by quantitative and sensory evaluation.
2005-07
Flavor release and rheology behavior of strawberry fatfree stirred yogurt during storage.
2004-05-19
On-line gas chromatography combustion/pyrolysis isotope ratio mass spectrometry (HRGC-C/P-IRMS) of pineapple (Ananas comosus L. Merr.) volatiles.
2003-12-31
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:00:27 GMT 2025
Edited
by admin
on Mon Mar 31 19:00:27 GMT 2025
Record UNII
OLG4D4939V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 2719
Preferred Name English
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
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 Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025
Code System Code Type Description
SMS_ID
100000173903
Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025
PRIMARY
PUBCHEM
13357
Created by admin on Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025
PRIMARY
ECHA (EC/EINECS)
212-778-0
Created by admin on Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025
PRIMARY
CAS
868-57-5
Created by admin on Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025
PRIMARY
FDA UNII
OLG4D4939V
Created by admin on Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025
PRIMARY
JECFA MONOGRAPH
195
Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID1052587
Created by admin on Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025
PRIMARY