CAS 22895-19-8 Dimethyl 4-methoxyphthalate (HCID 736307)

Substructure search Find similar structures

Basic information

CAS: 22895-19-8
Standard SMILES: COC(=O)c1ccc(OC)cc1C(=O)OC
InChIKey: WKSKDXDNBSJCIM-UHFFFAOYSA-N
Molecular formula: C11H12O5
Average molar mass: 224.21 g/mol
Monoisotopic mass: 224.06847348

Names & identifiers

Preferred name: Dimethyl 4-methoxyphthalate
IUPAC: dimethyl 4-methoxybenzene-1,2-dicarboxylate
English name: Dimethyl 4-methoxybenzene-1,2-dicarboxylate
Molecular formula: C11H12O5
Molecular weight: 224.21

Names & synonyms

Dimethyl 4-methoxyphthalate22895-19-8DTXSID80352993RefChem:338613DTXCID20304057Dimethyl 4-methoxybenzene-1,2-dicarboxylate4-methoxyphthalic acid dimethyl ester1,2-Benzenedicarboxylic acid, 4-methoxy-, 1,2-dimethyl ester1,2-Benzenedicarboxylic acid, 4-methoxy-, dimethyl esterSCHEMBL382822AKOS0159167414-Methoxy-phthalic acid dimethyl ester

Show more names

4-Methoxyphthalsaeure-methylester

DA-34798CS-0099722methyl 5-methoxy-2-(methoxycarbonyl)benzoateST50320108Dimethyl 4-methoxyphthalate, >=97.0% (GC)Benzene-1,2-dicarboxylic acid, 4-methoxy, dimethyl ester

Database identifiers

CAS: 22895-19-8
PubChem CID: 736307
DTXSID: DTXSID80352993
Nikkaji: J811.876K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 263

Physicochemical properties

Melting point: 74 · 74-75 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7))
Boiling point: 140 °C0.1 · 140 °C0.1 mm Hg(lit.)
Density: 1.225 g/mL · 1.225 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.531
Flash point: 109 °C · 109 °C
BRN: 2373838 · 2373838
WGK Germany: 3 · 3