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Details

Stereochemistry ACHIRAL
Molecular Formula C12H18O
Molecular Weight 178.2707
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-tert-Butyl-2-ethylphenol

SMILES

CCC1=CC(=CC=C1O)C(C)(C)C

InChI

InChIKey=ZYPDAQYUHJXYKX-UHFFFAOYSA-N
InChI=1S/C12H18O/c1-5-9-8-10(12(2,3)4)6-7-11(9)13/h6-8,13H,5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C12H18O
Molecular Weight 178.2707
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 19:25:42 GMT 2025
Edited
by admin
on Tue Apr 01 19:25:42 GMT 2025
Record UNII
6FU9777GG5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenol, 4-(1,1-dimethylethyl)-2-ethyl-
Preferred Name English
4-tert-Butyl-2-ethylphenol
Systematic Name English
4-(1,1-Dimethylethyl)-2-ethylphenol
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
264-206-4
Created by admin on Tue Apr 01 19:25:42 GMT 2025 , Edited by admin on Tue Apr 01 19:25:42 GMT 2025
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PUBCHEM
113242
Created by admin on Tue Apr 01 19:25:42 GMT 2025 , Edited by admin on Tue Apr 01 19:25:42 GMT 2025
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EPA CompTox
DTXSID3074072
Created by admin on Tue Apr 01 19:25:42 GMT 2025 , Edited by admin on Tue Apr 01 19:25:42 GMT 2025
PRIMARY
CAS
63452-61-9
Created by admin on Tue Apr 01 19:25:42 GMT 2025 , Edited by admin on Tue Apr 01 19:25:42 GMT 2025
PRIMARY
FDA UNII
6FU9777GG5
Created by admin on Tue Apr 01 19:25:42 GMT 2025 , Edited by admin on Tue Apr 01 19:25:42 GMT 2025
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