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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 ISOPROPYL PHENYLACETATE

SMILES

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

InChI

InChIKey=SSMBXPJYHMZLOJ-UHFFFAOYSA-N
InChI=1S/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

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 Mon Mar 31 18:57:21 GMT 2025
Edited
by admin
on Mon Mar 31 18:57:21 GMT 2025
Record UNII
A8L7NAJ0YO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETIC ACID, PHENYL-, ISOPROPYL ESTER
Preferred Name English
ISOPROPYL PHENYLACETATE
FHFI  
Systematic Name English
ISOPROPYL PHENYLACETATE [FHFI]
Common Name English
FEMA NO. 2956
Code English
BENZENEACETIC ACID, 1-METHYLETHYL ESTER
Common Name English
ISOPROPYL BENZENEACETATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION ISOPROPYL PHENYLACETATE
Created by admin on Mon Mar 31 18:57:21 GMT 2025 , Edited by admin on Mon Mar 31 18:57:21 GMT 2025
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 18:57:21 GMT 2025 , Edited by admin on Mon Mar 31 18:57:21 GMT 2025
Code System Code Type Description
CAS
4861-85-2
Created by admin on Mon Mar 31 18:57:21 GMT 2025 , Edited by admin on Mon Mar 31 18:57:21 GMT 2025
PRIMARY
JECFA MONOGRAPH
944
Created by admin on Mon Mar 31 18:57:21 GMT 2025 , Edited by admin on Mon Mar 31 18:57:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID1025483
Created by admin on Mon Mar 31 18:57:21 GMT 2025 , Edited by admin on Mon Mar 31 18:57:21 GMT 2025
PRIMARY
ECHA (EC/EINECS)
225-468-5
Created by admin on Mon Mar 31 18:57:21 GMT 2025 , Edited by admin on Mon Mar 31 18:57:21 GMT 2025
PRIMARY
FDA UNII
A8L7NAJ0YO
Created by admin on Mon Mar 31 18:57:21 GMT 2025 , Edited by admin on Mon Mar 31 18:57:21 GMT 2025
PRIMARY
PUBCHEM
62553
Created by admin on Mon Mar 31 18:57:21 GMT 2025 , Edited by admin on Mon Mar 31 18:57:21 GMT 2025
PRIMARY