Dimethyl 2-(2-methoxyphenoxy)malonate

HCID 12967085CAS 150726-89-9

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Basic information

Standard SMILES: COC(=O)C(Oc1ccccc1OC)C(=O)OC
InChIKey: SBUXKADXTZOBJV-UHFFFAOYSA-N
Molecular formula: C12H14O6
Average molar mass: 254.24 g/mol
Monoisotopic mass: 254.07903817

Names & identifiers

Preferred name: Dimethyl 2-(2-methoxyphenoxy)malonate
IUPAC: dimethyl 2-(2-methoxyphenoxy)propanedioate
English name: Dimethyl 2-(2-methoxyphenoxy)malonate
Molecular formula: C12H14O6
Molecular weight: 254.24

Names & synonyms

DIMETHYL 2-(2-METHOXYPHENOXY)MALONATEPropanedioic acid, 2-(2-methoxyphenoxy)-, 1,3-dimethyl esterRefChem:588146604-747-9150726-89-9DIMETHYL 2-METHOXYPHENOXYMALONATEMFCD06797652dimethyl 2-(2-methoxyphenoxy)propanedioatePropanedioic acid, (2-methoxyphenoxy)-, dimethyl esterSCHEMBL628822SCHEMBL29770500DTXSID80514170

Show more names

2-MethoxyphenoxyMalonateDimethyl-2-(2-methoxyphenoxy)malonate1,3-diMethyl 2-(2-Methoxyphenoxy)propanedioate2-(2-Methoxyphenoxy)malonic acid dimethyl ester(2-Methoxyphenoxy)-propanedioic Acid Dimethyl Ester2-methoxy-2-phenoxypropanedioic acid dimethyl esterTIANFUCHEM--150726-89-9--High purity Dimethyl 2-(2-methoxyphenoxy)malonate in stock

dimethyl (o-methoxyphenoxy)malonatedimethyl-(o-methoxyphenoxy)malonateCS-D1420dimethyl (2-methoxyphenoxy)malonatedimethyl-(2-methoxyphenoxy)malonateDiMethyl2-(2-methoxyphenoxy)malonatedimethyl-2-(o-methoxyphenoxy)malonateAKOS015851940

Database identifiers

CAS: 150726-89-9
PubChem CID: 12967085
DTXSID: DTXSID80514170
EC Number: 604-747-9

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 71.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 274

Physicochemical properties

Boiling point: 320.5 · 320.5±27.0 °C(Predicted)
Density: 1.206 · 1.206±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Dichloromethane, Methanol
form: Solid
pka: 12.17 · 12.17±0.59(Predicted)
color: White
InChI: InChI=1S/C12H14O6/c1-15-8-6-4-5-7-9(8)18-10(11(13)16-2)12(14)17-3/h4-7,10H,1-3H3
InChIKey: SBUXKADXTZOBJV-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(OC1=CC=CC=C1OC)C(OC)=O
Symbol(GHS): 9 · GHS09
Signal word: Warning
Hazard statements: 410 · H410
Precautionary statements: 501 · P501-P273-P391

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.