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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14O4
Molecular Weight 222.2372
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VANILLIN ISOBUTYRATE

SMILES

COC1=CC(C=O)=CC=C1OC(=O)C(C)C

InChI

InChIKey=BGKAKRUFBSTALK-UHFFFAOYSA-N
InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
VANILLIN ISOBUTYRATE
FHFI  
Systematic Name English
ISOBUTYRIC ACID, ESTER WITH VANILLIN
Common Name English
ISOBUTAVAN
Common Name English
VANILLIN, ISOBUTYRATE
Systematic Name English
VANILLIN ISOBUTYRATE [FHFI]
Common Name English
FEMA NO. 3754
Code English
PROPANOIC ACID, 2-METHYL-, 4-FORMYL-2-METHOXYPHENYL ESTER
Common Name English
4-ISOBUTYROYLOXY-3-METHOXYBENZALDEHYDE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION VANILLIN ISOBUTYRATE
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID9047201
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
JECFA MONOGRAPH
879
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
CAS
20665-85-4
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
ECHA (EC/EINECS)
243-956-6
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
FDA UNII
C55654RCNR
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY
PUBCHEM
539829
Created by admin on Fri Dec 15 19:43:55 UTC 2023 , Edited by admin on Fri Dec 15 19:43:55 UTC 2023
PRIMARY