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Details

Stereochemistry MIXED
Molecular Formula C16H24O3
Molecular Weight 264.36
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Hydroxypropyl 2-(4-isobutylphenyl)propanoate

SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC(C)O

InChI

InChIKey=VUCGZWWOXKSFFZ-UHFFFAOYSA-N
InChI=1S/C16H24O3/c1-11(2)9-14-5-7-15(8-6-14)13(4)16(18)19-10-12(3)17/h5-8,11-13,17H,9-10H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C16H24O3
Molecular Weight 264.36
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:54:42 GMT 2025
Edited
by admin
on Wed Apr 02 17:54:42 GMT 2025
Record UNII
84RA6D82EK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Hydroxypropyl 2-(4-isobutylphenyl)propanoate
Systematic Name English
2-Hydroxypropyl ?-methyl-4-(2-methylpropyl)benzeneacetate
Preferred Name English
Benzeneacetic acid, ?-methyl-4-(2-methylpropyl)-, 2-hydroxypropyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
13376834
Created by admin on Wed Apr 02 17:54:42 GMT 2025 , Edited by admin on Wed Apr 02 17:54:42 GMT 2025
PRIMARY
CAS
95093-58-6
Created by admin on Wed Apr 02 17:54:42 GMT 2025 , Edited by admin on Wed Apr 02 17:54:42 GMT 2025
PRIMARY
FDA UNII
84RA6D82EK
Created by admin on Wed Apr 02 17:54:42 GMT 2025 , Edited by admin on Wed Apr 02 17:54:42 GMT 2025
PRIMARY