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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 2,3,5-TRIMETHYLPHENOL

SMILES

CC1=CC(O)=C(C)C(C)=C1

InChI

InChIKey=OGRAOKJKVGDSFR-UHFFFAOYSA-N
InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/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
Effects of coffee components on the response of GABA(A) receptors expressed in Xenopus oocytes.
2003 Dec 17
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:28:03 GMT 2023
Edited
by admin
on Sat Dec 16 08:28:03 GMT 2023
Record UNII
1S1061ZBQ1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,5-TRIMETHYLPHENOL
Systematic Name English
METACRESOL IMPURITY M [EP IMPURITY]
Common Name English
6-HYDROXYPSEUDOCUMENE
Systematic Name English
NSC-5296
Code English
PHENOL, 2,3,5-TRIMETHYL-
Systematic Name English
ISOPSEUDOCUMENOL
Systematic Name English
1-HYDROXY-2,3,5-TRIMETHYLBENZENE
Systematic Name English
Code System Code Type Description
NSC
5296
Created by admin on Sat Dec 16 08:28:03 GMT 2023 , Edited by admin on Sat Dec 16 08:28:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID3047184
Created by admin on Sat Dec 16 08:28:03 GMT 2023 , Edited by admin on Sat Dec 16 08:28:03 GMT 2023
PRIMARY
CAS
697-82-5
Created by admin on Sat Dec 16 08:28:03 GMT 2023 , Edited by admin on Sat Dec 16 08:28:03 GMT 2023
PRIMARY
CHEBI
38570
Created by admin on Sat Dec 16 08:28:03 GMT 2023 , Edited by admin on Sat Dec 16 08:28:03 GMT 2023
PRIMARY
FDA UNII
1S1061ZBQ1
Created by admin on Sat Dec 16 08:28:03 GMT 2023 , Edited by admin on Sat Dec 16 08:28:03 GMT 2023
PRIMARY
PUBCHEM
12769
Created by admin on Sat Dec 16 08:28:03 GMT 2023 , Edited by admin on Sat Dec 16 08:28:03 GMT 2023
PRIMARY
ECHA (EC/EINECS)
211-806-9
Created by admin on Sat Dec 16 08:28:03 GMT 2023 , Edited by admin on Sat Dec 16 08:28:03 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP