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Details

Stereochemistry ACHIRAL
Molecular Formula C8H10O
Molecular Weight 122.1644
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5-XYLENOL

SMILES

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

InChI

InChIKey=TUAMRELNJMMDMT-UHFFFAOYSA-N
InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H10O
Molecular Weight 122.1644
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 bisphenol A and its derivatives on the response of GABA(A) receptors expressed in Xenopus oocytes.
2001 Sep
A chlorine isotope effect for enzyme-catalyzed chlorination.
2002 Dec 11
Structural features of phenol derivatives determining potency for activation of chloride currents via alpha(1) homomeric and alpha(1)beta heteromeric glycine receptors.
2005 Aug
Iron(III) complexes of tripodal monophenolate ligands as models for non-heme catechol dioxygenase enzymes: correlation of dioxygenase activity with ligand stereoelectronic properties.
2009 Sep 21
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:54:15 UTC 2023
Edited
by admin
on Fri Dec 15 17:54:15 UTC 2023
Record UNII
ONA760G0WA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,5-XYLENOL
Systematic Name English
XYLENOL, 3,5-
Systematic Name English
3,5-DIMETHYLPHENOL
HSDB  
Systematic Name English
XYLENOL 3,5-DIMETHYLPHENOL [MI]
Common Name English
1-HYDROXY-3,5-DIMETHYLBENZENE
Systematic Name English
3,5-DIMETHYLPHENOL [USP IMPURITY]
Common Name English
NSC-9268
Code English
METACRESOL IMPURITY J [EP IMPURITY]
Common Name English
XYLENOL 3,5-DIMETHYLPHENOL
MI  
Systematic Name English
PHENOL, 3,5-DIMETHYL-
Systematic Name English
1,3,5-XYLENOL
Common Name English
3,5-DIMETHYLPHENOL [HSDB]
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
203-606-5
Created by admin on Fri Dec 15 17:54:16 UTC 2023 , Edited by admin on Fri Dec 15 17:54:16 UTC 2023
PRIMARY
MERCK INDEX
m11549
Created by admin on Fri Dec 15 17:54:16 UTC 2023 , Edited by admin on Fri Dec 15 17:54:16 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID1025148
Created by admin on Fri Dec 15 17:54:16 UTC 2023 , Edited by admin on Fri Dec 15 17:54:16 UTC 2023
PRIMARY
CHEBI
38572
Created by admin on Fri Dec 15 17:54:16 UTC 2023 , Edited by admin on Fri Dec 15 17:54:16 UTC 2023
PRIMARY
HSDB
5385
Created by admin on Fri Dec 15 17:54:16 UTC 2023 , Edited by admin on Fri Dec 15 17:54:16 UTC 2023
PRIMARY
NSC
9268
Created by admin on Fri Dec 15 17:54:16 UTC 2023 , Edited by admin on Fri Dec 15 17:54:16 UTC 2023
PRIMARY
CAS
108-68-9
Created by admin on Fri Dec 15 17:54:16 UTC 2023 , Edited by admin on Fri Dec 15 17:54:16 UTC 2023
PRIMARY
FDA UNII
ONA760G0WA
Created by admin on Fri Dec 15 17:54:16 UTC 2023 , Edited by admin on Fri Dec 15 17:54:16 UTC 2023
PRIMARY
MESH
C016834
Created by admin on Fri Dec 15 17:54:16 UTC 2023 , Edited by admin on Fri Dec 15 17:54:16 UTC 2023
PRIMARY
PUBCHEM
7948
Created by admin on Fri Dec 15 17:54:16 UTC 2023 , Edited by admin on Fri Dec 15 17:54:16 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
USP