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Details

Stereochemistry ACHIRAL
Molecular Formula C14H20O2
Molecular Weight 220.3074
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3,5-Dimethylphenyl)ethyl isobutyrate

SMILES

CC(C)C(=O)OCCC1=CC(C)=CC(C)=C1

InChI

InChIKey=XZMQEOBINXEKCC-UHFFFAOYSA-N
InChI=1S/C14H20O2/c1-10(2)14(15)16-6-5-13-8-11(3)7-12(4)9-13/h7-10H,5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C14H20O2
Molecular Weight 220.3074
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 Sat Dec 16 12:35:49 GMT 2023
Edited
by admin
on Sat Dec 16 12:35:49 GMT 2023
Record UNII
QSY8L852YM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3,5-Dimethylphenyl)ethyl isobutyrate
Systematic Name English
2-(3,5-Dimethylphenyl)ethyl 2-methylpropanoate
Systematic Name English
Propanoic acid, 2-methyl-, 2-(3,5-dimethylphenyl)ethyl ester
Systematic Name English
Code System Code Type Description
CAS
94134-80-2
Created by admin on Sat Dec 16 12:35:49 GMT 2023 , Edited by admin on Sat Dec 16 12:35:49 GMT 2023
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FDA UNII
QSY8L852YM
Created by admin on Sat Dec 16 12:35:49 GMT 2023 , Edited by admin on Sat Dec 16 12:35:49 GMT 2023
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PUBCHEM
3023693
Created by admin on Sat Dec 16 12:35:49 GMT 2023 , Edited by admin on Sat Dec 16 12:35:49 GMT 2023
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EPA CompTox
DTXSID20240729
Created by admin on Sat Dec 16 12:35:49 GMT 2023 , Edited by admin on Sat Dec 16 12:35:49 GMT 2023
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ECHA (EC/EINECS)
302-850-0
Created by admin on Sat Dec 16 12:35:49 GMT 2023 , Edited by admin on Sat Dec 16 12:35:49 GMT 2023
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