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 6-METHYLSALICYLATE

SMILES

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

InChI

InChIKey=GPNCYIZKJTXKRO-UHFFFAOYSA-N
InChI=1S/C9H10O3/c1-6-4-3-5-7(10)8(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 Sat Dec 16 15:33:10 UTC 2023
Edited
by admin
on Sat Dec 16 15:33:10 UTC 2023
Record UNII
7I0LI71IJ1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 6-METHYLSALICYLATE
Common Name English
METHYL 2-HYDROXY-6-METHYLBENZOATE
Systematic Name English
METHYL SALICYLATE IMPURITY L [EP IMPURITY]
Common Name English
BENZOIC ACID, 2-HYDROXY-6-METHYL-, METHYL ESTER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40342759
Created by admin on Sat Dec 16 15:33:10 UTC 2023 , Edited by admin on Sat Dec 16 15:33:10 UTC 2023
PRIMARY
FDA UNII
7I0LI71IJ1
Created by admin on Sat Dec 16 15:33:10 UTC 2023 , Edited by admin on Sat Dec 16 15:33:10 UTC 2023
PRIMARY
CAS
33528-09-5
Created by admin on Sat Dec 16 15:33:10 UTC 2023 , Edited by admin on Sat Dec 16 15:33:10 UTC 2023
PRIMARY
PUBCHEM
584223
Created by admin on Sat Dec 16 15:33:10 UTC 2023 , Edited by admin on Sat Dec 16 15:33:10 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP