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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 HEXYL PHENYLACETATE

SMILES

CCCCCCOC(=O)CC1=CC=CC=C1

InChI

InChIKey=MTAHGWGAEGVCLS-UHFFFAOYSA-N
InChI=1S/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3

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 Mon Mar 31 18:37:29 GMT 2025
Edited
by admin
on Mon Mar 31 18:37:29 GMT 2025
Record UNII
9OMY0L6TTU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 3457
Preferred Name English
HEXYL PHENYLACETATE
FHFI  
Systematic Name English
HEXYL BENZENEACETATE
Systematic Name English
BENZENEACETIC ACID, HEXYL ESTER
Common Name English
HEXYL .ALPHA.-TOLUATE
Systematic Name English
HEXYL PHENYLACETATE [FHFI]
Common Name English
NSC-6652
Code English
N-HEXYL PHENYLACETATE
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 18:37:29 GMT 2025 , Edited by admin on Mon Mar 31 18:37:29 GMT 2025
JECFA EVALUATION HEXYL PHENYLACETATE
Created by admin on Mon Mar 31 18:37:29 GMT 2025 , Edited by admin on Mon Mar 31 18:37:29 GMT 2025
Code System Code Type Description
PUBCHEM
221691
Created by admin on Mon Mar 31 18:37:29 GMT 2025 , Edited by admin on Mon Mar 31 18:37:29 GMT 2025
PRIMARY
NSC
6652
Created by admin on Mon Mar 31 18:37:29 GMT 2025 , Edited by admin on Mon Mar 31 18:37:29 GMT 2025
PRIMARY
EPA CompTox
DTXSID1063859
Created by admin on Mon Mar 31 18:37:29 GMT 2025 , Edited by admin on Mon Mar 31 18:37:29 GMT 2025
PRIMARY
FDA UNII
9OMY0L6TTU
Created by admin on Mon Mar 31 18:37:29 GMT 2025 , Edited by admin on Mon Mar 31 18:37:29 GMT 2025
PRIMARY
ECHA (EC/EINECS)
226-537-2
Created by admin on Mon Mar 31 18:37:29 GMT 2025 , Edited by admin on Mon Mar 31 18:37:29 GMT 2025
PRIMARY
CAS
5421-17-0
Created by admin on Mon Mar 31 18:37:29 GMT 2025 , Edited by admin on Mon Mar 31 18:37:29 GMT 2025
PRIMARY
JECFA MONOGRAPH
948
Created by admin on Mon Mar 31 18:37:29 GMT 2025 , Edited by admin on Mon Mar 31 18:37:29 GMT 2025
PRIMARY