U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H24O4
Molecular Weight 280.3594
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1,3,3-Tetramethylbutyl phenoxyperoxyacetate

SMILES

CC(C)(C)CC(C)(C)OOC(=O)COC1=CC=CC=C1

InChI

InChIKey=WQXWDMWCSZQRFW-UHFFFAOYSA-N
InChI=1S/C16H24O4/c1-15(2,3)12-16(4,5)20-19-14(17)11-18-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C16H24O4
Molecular Weight 280.3594
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 Tue Apr 01 18:49:49 GMT 2025
Edited
by admin
on Tue Apr 01 18:49:49 GMT 2025
Record UNII
D5KZQ9F29Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1,3,3-Tetramethylbutyl phenoxyperoxyacetate
Systematic Name English
Ethaneperoxoic acid, 2-phenoxy-, 1,1,3,3-tetramethylbutyl ester
Preferred Name English
1,1,3,3-Tetramethylbutyl 2-phenoxyethaneperoxoate
Systematic Name English
Ethaneperoxoic acid, phenoxy-, 1,1,3,3-tetramethylbutyl ester
Systematic Name English
Code System Code Type Description
CAS
59382-51-3
Created by admin on Tue Apr 01 18:49:49 GMT 2025 , Edited by admin on Tue Apr 01 18:49:49 GMT 2025
PRIMARY
FDA UNII
D5KZQ9F29Q
Created by admin on Tue Apr 01 18:49:49 GMT 2025 , Edited by admin on Tue Apr 01 18:49:49 GMT 2025
PRIMARY
PUBCHEM
101031
Created by admin on Tue Apr 01 18:49:49 GMT 2025 , Edited by admin on Tue Apr 01 18:49:49 GMT 2025
PRIMARY
ECHA (EC/EINECS)
261-726-3
Created by admin on Tue Apr 01 18:49:49 GMT 2025 , Edited by admin on Tue Apr 01 18:49:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID1069326
Created by admin on Tue Apr 01 18:49:49 GMT 2025 , Edited by admin on Tue Apr 01 18:49:49 GMT 2025
PRIMARY