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Details

Stereochemistry ACHIRAL
Molecular Formula C10H14O
Molecular Weight 150.2176
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENOL, 3-(1,1-DIMETHYLETHYL)-

SMILES

CC(C)(C)C1=CC=CC(O)=C1

InChI

InChIKey=CYEKUDPFXBLGHH-UHFFFAOYSA-N
InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H14O
Molecular Weight 150.2176
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006-11
Data processing and classification analysis of proteomic changes: a case study of oil pollution in the mussel, Mytilus edulis.
2006-09-13
Simultaneous measurement of urinary bisphenol A and alkylphenols by automated solid-phase extractive derivatization gas chromatography/mass spectrometry.
2003-12-15
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:49:13 GMT 2025
Edited
by admin
on Mon Mar 31 19:49:13 GMT 2025
Record UNII
2382U55WN2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENOL, 3-(1,1-DIMETHYLETHYL)-
Systematic Name English
3-(1,1-DIMETHYLETHYL)PHENOL
Preferred Name English
5-TERT-BUTYL-1-HYDROXYBENZENE
Systematic Name English
3-T-BUTYLPHENOL
Systematic Name English
M-TERT-BUTYLPHENOL
Systematic Name English
3-TERT-BUTYLPHENOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID9044825
Created by admin on Mon Mar 31 19:49:13 GMT 2025 , Edited by admin on Mon Mar 31 19:49:13 GMT 2025
PRIMARY
CAS
585-34-2
Created by admin on Mon Mar 31 19:49:13 GMT 2025 , Edited by admin on Mon Mar 31 19:49:13 GMT 2025
PRIMARY
PUBCHEM
11450
Created by admin on Mon Mar 31 19:49:13 GMT 2025 , Edited by admin on Mon Mar 31 19:49:13 GMT 2025
PRIMARY
ECHA (EC/EINECS)
209-553-4
Created by admin on Mon Mar 31 19:49:13 GMT 2025 , Edited by admin on Mon Mar 31 19:49:13 GMT 2025
PRIMARY
FDA UNII
2382U55WN2
Created by admin on Mon Mar 31 19:49:13 GMT 2025 , Edited by admin on Mon Mar 31 19:49:13 GMT 2025
PRIMARY