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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(O)=CC=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

Approval Year

PubMed

PubMed

TitleDatePubMed
Simultaneous measurement of urinary bisphenol A and alkylphenols by automated solid-phase extractive derivatization gas chromatography/mass spectrometry.
2003 Dec 15
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Data processing and classification analysis of proteomic changes: a case study of oil pollution in the mussel, Mytilus edulis.
2006 Sep 13
Patents
Name Type Language
PHENOL, 3-(1,1-DIMETHYLETHYL)-
Systematic Name English
5-TERT-BUTYL-1-HYDROXYBENZENE
Systematic Name English
3-T-BUTYLPHENOL
Systematic Name English
M-TERT-BUTYLPHENOL
Systematic Name English
3-(1,1-DIMETHYLETHYL)PHENOL
Systematic Name English
3-TERT-BUTYLPHENOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID9044825
Created by admin on Fri Dec 15 19:35:15 GMT 2023 , Edited by admin on Fri Dec 15 19:35:15 GMT 2023
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CAS
585-34-2
Created by admin on Fri Dec 15 19:35:15 GMT 2023 , Edited by admin on Fri Dec 15 19:35:15 GMT 2023
PRIMARY
PUBCHEM
11450
Created by admin on Fri Dec 15 19:35:15 GMT 2023 , Edited by admin on Fri Dec 15 19:35:15 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-553-4
Created by admin on Fri Dec 15 19:35:15 GMT 2023 , Edited by admin on Fri Dec 15 19:35:15 GMT 2023
PRIMARY
FDA UNII
2382U55WN2
Created by admin on Fri Dec 15 19:35:15 GMT 2023 , Edited by admin on Fri Dec 15 19:35:15 GMT 2023
PRIMARY