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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

Unknown
86413
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
Structure of METAXALONE
PARENT -> METABOLITE
MINOR
Related Record Type Details
Structure of METACRESOL
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP
Structure of METAXALONE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of CHLOROXYLENOL
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
USP
NIH
NCATS
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