Monomethyl-phthalate

Monomethyl phthalate is a metabolite, or breakdown product, of dimethyl phthalate, used in insect repellant, plastic, and as a rocket propellant

General

Type : Aryl ester, Phthalate

Chemical_Nomenclature : 2-methoxycarbonylbenzoic acid

Canonical SMILES : COC(=O)C1=CC=CC=C1C(=O)O

InChI : InChI=1S\/C9H8O4\/c1-13-9(12)7-5-3-2-4-6(7)8(10)11\/h2-5H,1H3,(H,10,11)

InChIKey : FNJSWIPFHMKRAT-UHFFFAOYSA-N

Other name(s) : Methyl hydrogen phthalate  ||  Monomethyl phthalate  ||  Monomethylphthalate  ||  mono-Methyl phthalate  ||  SCHEMBL40534  ||  CHEMBL243609


MW : 180.16

Formula : C9H8O4

CAS_number : 4376-18-5

PubChem : 20392

UniChem : FNJSWIPFHMKRAT-UHFFFAOYSA-N

Target

Structures : No structure

Families : Hormone-sensitive_lipase_like

References (1)

Title : Mechanistic and structural insights into EstS1 esterase: A potent broad-spectrum phthalate diester degrading enzyme - Verma_2024_Structure__
Author(s) : Verma S , Choudhary S , Amith Kumar K , Mahto JK , Vamsi KA , Mishra I , Prakash VB , Sircar D , Tomar S , Kumar Sharma A , Singla J , Kumar P
Ref : Structure , : , 2024
Abstract :
PubMedSearch : Verma_2024_Structure__
PubMedID: 39642872
Gene_locus related to this paper: sulad-g8tv28