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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16O4
Molecular Weight 236.2637
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL VANILLIN ISOBUTYRATE

SMILES

CCOC1=CC(C=O)=CC=C1OC(=O)C(C)C

InChI

InChIKey=BTCQMCOBMIXUCG-UHFFFAOYSA-N
InChI=1S/C13H16O4/c1-4-16-12-7-10(8-14)5-6-11(12)17-13(15)9(2)3/h5-9H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H16O4
Molecular Weight 236.2637
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:43:58 GMT 2023
Edited
by admin
on Fri Dec 15 19:43:58 GMT 2023
Record UNII
UDU0O5YSL5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL VANILLIN ISOBUTYRATE
FHFI  
Systematic Name English
FEMA NO. 3837
Code English
ETHYL VANILLIN ISOBUTYRATE [FHFI]
Common Name English
ETHYLVANILLIN ISOBUTYRATE
Systematic Name English
PROPANOIC ACID, 2-METHYL-, 2-ETHOXY-4-FORMYLPHENYL ESTER
Common Name English
4-ISOBUTANOYLOXY-3-ETHOXYBENZALDEHYDE
Systematic Name English
2-ETHOXY-4-FORMYLPHENYL ISOBUTYRATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION ETHYL VANILLIN ISOBUTYRATE
Created by admin on Fri Dec 15 19:43:58 GMT 2023 , Edited by admin on Fri Dec 15 19:43:58 GMT 2023
Code System Code Type Description
FDA UNII
UDU0O5YSL5
Created by admin on Fri Dec 15 19:43:58 GMT 2023 , Edited by admin on Fri Dec 15 19:43:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID20870181
Created by admin on Fri Dec 15 19:43:58 GMT 2023 , Edited by admin on Fri Dec 15 19:43:58 GMT 2023
PRIMARY
JECFA MONOGRAPH
886
Created by admin on Fri Dec 15 19:43:58 GMT 2023 , Edited by admin on Fri Dec 15 19:43:58 GMT 2023
PRIMARY
CHEBI
143870
Created by admin on Fri Dec 15 19:43:58 GMT 2023 , Edited by admin on Fri Dec 15 19:43:58 GMT 2023
PRIMARY
PUBCHEM
673160
Created by admin on Fri Dec 15 19:43:58 GMT 2023 , Edited by admin on Fri Dec 15 19:43:58 GMT 2023
PRIMARY
CAS
188417-26-7
Created by admin on Fri Dec 15 19:43:58 GMT 2023 , Edited by admin on Fri Dec 15 19:43:58 GMT 2023
PRIMARY