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Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O2
Molecular Weight 116.1583
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL ISOVALERATE

SMILES

COC(=O)CC(C)C

InChI

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

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Changes in key odorants of raw coffee beans during storage under defined conditions.
2007 Jul 11
Patents

Patents

Name Type Language
METHYL ISOVALERATE
FCC   FHFI   MI  
Systematic Name English
3-METHYLBUTANOIC ACID METHYL ESTER
Systematic Name English
METHYL 3-METHYLBUTANOATE
Systematic Name English
FEMA NO. 2753
Code English
ISOPENTANOIC ACID METHYL ESTER
Systematic Name English
METHYL ISOVALERATE [FCC]
Common Name English
METHYL ISOPENTANOATE
Systematic Name English
METHYL ISOVALERATE [MI]
Common Name English
METHYL ISOVALERATE [FHFI]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:17:42 GMT 2023 , Edited by admin on Fri Dec 15 17:17:42 GMT 2023
JECFA EVALUATION METHYL ISOVALERATE
Created by admin on Fri Dec 15 17:17:42 GMT 2023 , Edited by admin on Fri Dec 15 17:17:42 GMT 2023
Code System Code Type Description
FDA UNII
QPS4788198
Created by admin on Fri Dec 15 17:17:42 GMT 2023 , Edited by admin on Fri Dec 15 17:17:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID5060300
Created by admin on Fri Dec 15 17:17:42 GMT 2023 , Edited by admin on Fri Dec 15 17:17:42 GMT 2023
PRIMARY
CAS
556-24-1
Created by admin on Fri Dec 15 17:17:42 GMT 2023 , Edited by admin on Fri Dec 15 17:17:42 GMT 2023
PRIMARY
JECFA MONOGRAPH
201
Created by admin on Fri Dec 15 17:17:42 GMT 2023 , Edited by admin on Fri Dec 15 17:17:42 GMT 2023
PRIMARY
PUBCHEM
11160
Created by admin on Fri Dec 15 17:17:42 GMT 2023 , Edited by admin on Fri Dec 15 17:17:42 GMT 2023
PRIMARY
MERCK INDEX
m7435
Created by admin on Fri Dec 15 17:17:42 GMT 2023 , Edited by admin on Fri Dec 15 17:17:42 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
209-117-3
Created by admin on Fri Dec 15 17:17:42 GMT 2023 , Edited by admin on Fri Dec 15 17:17:42 GMT 2023
PRIMARY