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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O2
Molecular Weight 178.2277
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-TOLYL ISOBUTYRATE

SMILES

CC(C)C(=O)OC1=C(C)C=CC=C1

InChI

InChIKey=FDJBDZVTTXWIQM-UHFFFAOYSA-N
InChI=1S/C11H14O2/c1-8(2)11(12)13-10-7-5-4-6-9(10)3/h4-8H,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H14O2
Molecular Weight 178.2277
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 18:37:32 GMT 2023
Edited
by admin
on Fri Dec 15 18:37:32 GMT 2023
Record UNII
X2ORQ6I00S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-TOLYL ISOBUTYRATE
FHFI  
Systematic Name English
O-METHYLPHENYL ISOBUTYRATE
Common Name English
O-TOLYL ISOBUTYRATE [FHFI]
Common Name English
PROPANOIC ACID, 2-METHYL-, 2-METHYLPHENYL ESTER
Common Name English
CRESYL ISOBUTYRATE, O-
Systematic Name English
FEMA NO. 3753
Code English
2-METHYLPHENYL 2-METHYLPROPANOATE
Systematic Name English
O-CRESYL ISOBUTYRATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION O-TOLYL ISOBUTYRATE
Created by admin on Fri Dec 15 18:37:32 GMT 2023 , Edited by admin on Fri Dec 15 18:37:32 GMT 2023
Code System Code Type Description
CAS
36438-54-7
Created by admin on Fri Dec 15 18:37:32 GMT 2023 , Edited by admin on Fri Dec 15 18:37:32 GMT 2023
PRIMARY
JECFA MONOGRAPH
579
Created by admin on Fri Dec 15 18:37:32 GMT 2023 , Edited by admin on Fri Dec 15 18:37:32 GMT 2023
PRIMARY
FDA UNII
X2ORQ6I00S
Created by admin on Fri Dec 15 18:37:32 GMT 2023 , Edited by admin on Fri Dec 15 18:37:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID30189958
Created by admin on Fri Dec 15 18:37:32 GMT 2023 , Edited by admin on Fri Dec 15 18:37:32 GMT 2023
PRIMARY
PUBCHEM
61954
Created by admin on Fri Dec 15 18:37:32 GMT 2023 , Edited by admin on Fri Dec 15 18:37:32 GMT 2023
PRIMARY