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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12O
Molecular Weight 136.191
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,6-TRIMETHYLPHENOL

SMILES

CC1=CC=C(C)C(O)=C1C

InChI

InChIKey=QQOMQLYQAXGHSU-UHFFFAOYSA-N
InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3

HIDE SMILES / InChI

Molecular Formula C9H12O
Molecular Weight 136.191
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
First isolated active titanium peroxo complex: characterization and theoretical study.
2004 Apr 5
Aerobic oxidation of 2,3,6-trimethylphenol to trimethyl-1,4-benzoquinone with copper(II) chloride as catalyst in ionic liquid and structure of the active species.
2004 Aug 11
Zr(IV)-monosubstituted Keggin-type dimeric polyoxometalates: synthesis, characterization, catalysis of H2O2-based oxidations, and theoretical study.
2006 Sep 4
Magnetic and catalytic properties of copper ferrite nanopowders prepared by combustion process.
2009 Feb
Hierarchical mesoporous TS-1 zeolite: a highly active and extraordinarily stable catalyst for the selective oxidation of 2,3,6-trimethylphenol.
2010 Jul 21
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:58:46 GMT 2023
Edited
by admin
on Fri Dec 15 17:58:46 GMT 2023
Record UNII
05WKL2L5LJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,6-TRIMETHYLPHENOL
FHFI   HSDB  
Systematic Name English
2,3,6-TRIMETHYLPHENOL [FHFI]
Common Name English
3-HYDROXYPSEUDOCUMENE
Systematic Name English
PHENOL, 2,3,6-TRIMETHYL-
Systematic Name English
NSC-91509
Code English
2,3,6-TRIMETHYLPHENOL [HSDB]
Common Name English
FEMA NO. 3963
Code English
Classification Tree Code System Code
JECFA EVALUATION 2,3,6-TRIMETHYLPHENOL
Created by admin on Fri Dec 15 17:58:46 GMT 2023 , Edited by admin on Fri Dec 15 17:58:46 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
219-330-3
Created by admin on Fri Dec 15 17:58:46 GMT 2023 , Edited by admin on Fri Dec 15 17:58:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID6022187
Created by admin on Fri Dec 15 17:58:46 GMT 2023 , Edited by admin on Fri Dec 15 17:58:46 GMT 2023
PRIMARY
JECFA MONOGRAPH
608
Created by admin on Fri Dec 15 17:58:46 GMT 2023 , Edited by admin on Fri Dec 15 17:58:46 GMT 2023
PRIMARY
CAS
2416-94-6
Created by admin on Fri Dec 15 17:58:46 GMT 2023 , Edited by admin on Fri Dec 15 17:58:46 GMT 2023
PRIMARY
WIKIPEDIA
2,3,6-Trimethylphenol
Created by admin on Fri Dec 15 17:58:46 GMT 2023 , Edited by admin on Fri Dec 15 17:58:46 GMT 2023
PRIMARY
HSDB
5876
Created by admin on Fri Dec 15 17:58:46 GMT 2023 , Edited by admin on Fri Dec 15 17:58:46 GMT 2023
PRIMARY
FDA UNII
05WKL2L5LJ
Created by admin on Fri Dec 15 17:58:46 GMT 2023 , Edited by admin on Fri Dec 15 17:58:46 GMT 2023
PRIMARY
PUBCHEM
17016
Created by admin on Fri Dec 15 17:58:46 GMT 2023 , Edited by admin on Fri Dec 15 17:58:46 GMT 2023
PRIMARY
NSC
91509
Created by admin on Fri Dec 15 17:58:46 GMT 2023 , Edited by admin on Fri Dec 15 17:58:46 GMT 2023
PRIMARY