CAS 60441-79-4 Methyl 3,5-dimethoxy-4-methylbenzoate (HCID 2747951)

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Basic information

CAS: 60441-79-4
Standard SMILES: COC(=O)c1cc(OC)c(C)c(OC)c1
InChIKey: LEYIAQXZHTVTCH-UHFFFAOYSA-N
Molecular formula: C11H14O4
Average molar mass: 210.23 g/mol
Monoisotopic mass: 210.08920892

Names & identifiers

Preferred name: Methyl 3,5-dimethoxy-4-methylbenzoate
IUPAC: methyl 3,5-dimethoxy-4-methylbenzoate
English name: Methyl 3,5-dimethoxy-4-methylbenzoate
Molecular formula: C11H14O4
Molecular weight: 210.23

Names & synonyms

methyl 3,5-dimethoxy-4-methylbenzoate60441-79-4DTXSID20372695RefChem:354571DTXCID60323727MFCD000175123,5-Dimethoxy-4-methylbenzoic acid methyl esterMethyl 4-methyl-3,5-dimethoxybenzoate3,5-DIMETHOXY-4-METHYL-BENZOIC ACID METHYL ESTERstarbld0016642SCHEMBL2114318Methyl 3,5-dimethoxy-p-toluate

Show more names

METHYL-3,5-DIMETHOXY-P-TOLUATEBenzoic acid, 3,5-dimethoxy-4-methyl-, methyl ester3,5-Dimethoxy-p-toluic acid methyl ester (COOCH3=1)

LEYIAQXZHTVTCH-UHFFFAOYSA-NAKOS004903337FD70224methyl 3,5-dimethoxy-4-methyl-benzoateTS-00423E83228

Database identifiers

CAS: 60441-79-4
PubChem CID: 2747951
DTXSID: DTXSID20372695
Nikkaji: J2.071.773D

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 203

Physicochemical properties

solubility: Dichloromethane;
form: Solid
color: Brown

Chemistry & industry

Applications · 1 item

UsesMethyl 3,5-dimethoxy-4-methylbenzoate (cas# 60441-79-4) is a useful research chemical.Also, it is an impurity in the synthesis of 8,10-Dihydroxy-cannabinol (D448803), which is a degradation compound of тИЖ9-Tetrahydro Cannabinol (T293200), the principal active constituent of cannabis.