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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 4-METHYLSALICYLATE

SMILES

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

InChI

InChIKey=UITFCFWKYAOJEJ-UHFFFAOYSA-N
InChI=1S/C9H10O3/c1-6-3-4-7(8(10)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 Sat Dec 16 08:49:40 UTC 2023
Edited
by admin
on Sat Dec 16 08:49:40 UTC 2023
Record UNII
CTH814P02Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 4-METHYLSALICYLATE
Systematic Name English
METHYL SALICYLATE IMPURITY K [EP IMPURITY]
Common Name English
4-METHYLSALICYLIC ACID METHYL ESTER
Common Name English
METHYL 2-HYDROXY-4-METHYLBENZOATE
Systematic Name English
BENZOIC ACID, 2-HYDROXY-4-METHYL-, METHYL ESTER
Systematic Name English
Code System Code Type Description
CAS
4670-56-8
Created by admin on Sat Dec 16 08:49:40 UTC 2023 , Edited by admin on Sat Dec 16 08:49:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID40863434
Created by admin on Sat Dec 16 08:49:40 UTC 2023 , Edited by admin on Sat Dec 16 08:49:40 UTC 2023
PRIMARY
FDA UNII
CTH814P02Q
Created by admin on Sat Dec 16 08:49:40 UTC 2023 , Edited by admin on Sat Dec 16 08:49:40 UTC 2023
PRIMARY
ECHA (EC/EINECS)
225-117-6
Created by admin on Sat Dec 16 08:49:40 UTC 2023 , Edited by admin on Sat Dec 16 08:49:40 UTC 2023
PRIMARY
PUBCHEM
78400
Created by admin on Sat Dec 16 08:49:40 UTC 2023 , Edited by admin on Sat Dec 16 08:49:40 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP