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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8O
Molecular Weight 108.1378
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORTHOCRESOL

SMILES

CC1=C(O)C=CC=C1

InChI

InChIKey=QWVGKYWNOKOFNN-UHFFFAOYSA-N
InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

HIDE SMILES / InChI
Molecular Formula C7H8O
Molecular Weight 108.1378
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 15:22:04 UTC 2023
Edited
by admin
on Fri Dec 15 15:22:04 UTC 2023
Record UNII
YW84DH5I7U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORTHOCRESOL
HSDB  
Systematic Name English
CRESOL, O-
Common Name English
FEMA NO. 3480
Code English
O-CRESOL [MI]
Common Name English
2-HYDROXY-1-METHYLBENZENE
Systematic Name English
1-HYDROXY-2-METHYLBENZENE
Systematic Name English
O-CRESOL [FHFI]
Common Name English
CRESOL, ORTHO-
Systematic Name English
PHENOL, 2-METHYL-
Systematic Name English
2-CRESOL
Systematic Name English
O-CRESOL [INCI]
Common Name English
METACRESOL IMPURITY B [EP IMPURITY]
Common Name English
NSC-23076
Code English
ORTHOCRESOL [USP IMPURITY]
Common Name English
ORTHO-CRESOL
Systematic Name English
2-METHYLPHENOL
Systematic Name English
NSC-36809
Code English
O-CRESOL
FHFI   INCI   MI  
INCI  
Official Name English
ORTHOCRESOL [HSDB]
Common Name English
2-HYDROXYTOLUENE
Systematic Name English
1-METHYL-2-HYDROXYBENZENE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION O-CRESOL
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
NCI_THESAURUS C45494
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
Code System Code Type Description
MERCK INDEX
m3834
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY Merck Index
CAS
95-48-7
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
ChEMBL
CHEMBL46931
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
EPA CompTox
DTXSID8021808
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
HSDB
1813
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
FDA UNII
YW84DH5I7U
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
NCI_THESAURUS
C80609
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
WIKIPEDIA
O-CRESOL
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
JECFA MONOGRAPH
571
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
RXCUI
2266810
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
PUBCHEM
335
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
NSC
23076
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
DAILYMED
YW84DH5I7U
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
MESH
C034047
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
ECHA (EC/EINECS)
202-423-8
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
CHEBI
28054
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
NSC
36809
Created by admin on Fri Dec 15 15:22:04 UTC 2023 , Edited by admin on Fri Dec 15 15:22:04 UTC 2023
PRIMARY
Related Record Type Details
Structure of METACRESOL
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP
Structure of METACRESOL
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
USP
NIH
NCATS
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