U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O3
Molecular Weight 166.1739
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 5-METHYLSALICYLATE

SMILES

COC(=O)C1=CC(C)=CC=C1O

InChI

InChIKey=JQYUQKRFSSSGJM-UHFFFAOYSA-N
InChI=1S/C9H10O3/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5,10H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H10O3
Molecular Weight 166.1739
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:13:39 GMT 2025
Edited
by admin
on Mon Mar 31 22:13:39 GMT 2025
Record UNII
8GMK8QL99V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 5-METHYLSALICYLATE
Common Name English
NSC-165635
Preferred Name English
BENZOIC ACID, 2-HYDROXY-5-METHYL-, METHYL ESTER
Common Name English
METHYL 2-HYDROXY-5-METHYLBENZOATE
Systematic Name English
2-(METHOXYCARBONYL)-4-METHYLPHENOL
Systematic Name English
METHYL SALICYLATE IMPURITY J [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
89802
Created by admin on Mon Mar 31 22:13:39 GMT 2025 , Edited by admin on Mon Mar 31 22:13:39 GMT 2025
PRIMARY
CAS
22717-57-3
Created by admin on Mon Mar 31 22:13:39 GMT 2025 , Edited by admin on Mon Mar 31 22:13:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID0066822
Created by admin on Mon Mar 31 22:13:39 GMT 2025 , Edited by admin on Mon Mar 31 22:13:39 GMT 2025
PRIMARY
FDA UNII
8GMK8QL99V
Created by admin on Mon Mar 31 22:13:39 GMT 2025 , Edited by admin on Mon Mar 31 22:13:39 GMT 2025
PRIMARY
ECHA (EC/EINECS)
245-173-5
Created by admin on Mon Mar 31 22:13:39 GMT 2025 , Edited by admin on Mon Mar 31 22:13:39 GMT 2025
PRIMARY
NSC
165635
Created by admin on Mon Mar 31 22:13:39 GMT 2025 , Edited by admin on Mon Mar 31 22:13:39 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP