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Details

Stereochemistry ACHIRAL
Molecular Formula C15H22O2
Molecular Weight 234.334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Methyl-2-(isopropyl)phenyl isovalerate

SMILES

CC(C)CC(=O)OC1=CC(C)=CC=C1C(C)C

InChI

InChIKey=NZIACPHCVAFJBR-UHFFFAOYSA-N
InChI=1S/C15H22O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h6-7,9-11H,8H2,1-5H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
5-Methyl-2-(1-methylethyl)phenyl 3-methylbutanoate
Preferred Name English
5-Methyl-2-(isopropyl)phenyl isovalerate
Systematic Name English
Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
A5Z5X5C4KL
Created by admin on Tue Apr 01 19:17:27 GMT 2025 , Edited by admin on Tue Apr 01 19:17:27 GMT 2025
PRIMARY
CAS
69844-33-3
Created by admin on Tue Apr 01 19:17:27 GMT 2025 , Edited by admin on Tue Apr 01 19:17:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID70220137
Created by admin on Tue Apr 01 19:17:27 GMT 2025 , Edited by admin on Tue Apr 01 19:17:27 GMT 2025
PRIMARY
ECHA (EC/EINECS)
274-146-0
Created by admin on Tue Apr 01 19:17:27 GMT 2025 , Edited by admin on Tue Apr 01 19:17:27 GMT 2025
PRIMARY
PUBCHEM
155224
Created by admin on Tue Apr 01 19:17:27 GMT 2025 , Edited by admin on Tue Apr 01 19:17:27 GMT 2025
PRIMARY
NIH
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