CAS 22398-14-7 Dimethyl methoxymethylenemalonate (HCID 90770)

Names & identifiers

Preferred name: Dimethyl methoxymethylenemalonate
IUPAC: dimethyl 2-(methoxymethylidene)propanedioate
English name: Dimethyl methoxymethylenemalonate
Molecular formula: C7H10O5
Molecular weight: 174.15

Names & synonyms

Dimethyl methoxymethylenemalonateEINECS 244-957-4NSC 131266DTXSID90176925RefChem:588284DTXCID3099416244-957-422398-14-7Dimethyl 2-(methoxymethylene)malonate1,3-dimethyl 2-(methoxymethylidene)propanedioatedimethyl 2-(methoxymethylidene)propanedioateMFCD00038225

Show more names

MMMMDimethyl 2-(methoxymethylene)DimethylmethoxymethylenmalonatDimethylMethoxymethylenemalonate>Dimethyl methoxymethylenemalonate, 98+%thyl 2-(methoxymethylidene)propanedioateimethyl2-(methoxymethylidene)propanedioate

dimethyl (methoxymethylidene)propanedioateSCHEMBL166090dimethyl methoxymethylenepropanedioatedimethyl methoxymethylene-propanedioateEN300-67321Methoxymethylenemalonic Acid Dimethyl EsterAMY14316Propanedioic acid, (methoxymethylene)-, dimethyl ester

Database identifiers

CAS: 22398-14-7
PubChem CID: 90770
DTXSID: DTXSID90176925
EC Number: 244-957-4
Nikkaji: J41.171J

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 188

Physicochemical properties

Melting point: 40 · 40-44 °C
Boiling point: 98 °C · 98 °C (0.5 mmHg)
Density: 1.2311 · 1.2311 (rough estimate)
refractive index: 1.439 · 1.4390 (estimate)
Flash point: 158 °C · 158 °C
storage temp.: Sealed in dry,Room Temperature
form: Crystalline Solid
color: White
InChI: InChI=1S/C7H10O5/c1-10-4-5(6(8)11-2)7(9)12-3/h4H,1-3H3
InChIKey: RHFZTBSULNJWEI-UHFFFAOYSA-N
SMILES: C(OC)(=O)/C(=C\OC)/C(OC)=O
CAS DataBase Reference: 22398 · 22398-14-7(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06,GHS08
Signal word: Warning
Hazard statements: 301 · H301-H315-H317-H319-H334-H335
Precautionary statements: 261 · P261-P284-P301+P310a-P305+P351+P338-P405-P501a
Hazard Codes: Xn
Risk Statements: 43 · 43-36/38-22
Safety Statements: 37 · 37/39-26-24
HS Code: 29171990 · 29171990

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (66.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)

Safety data

hs_code: 29171990
risk_code: 43-36/38-22
Signal word: Warning
Symbol(GHS): GHS06,GHS08
hazard_code: Xn
safety_code: 37/39-26-24
Hazard statements: H301-H315-H317-H319-H334-H335
Precautionary statements: P261-P284-P301+P310a-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 1 item

UsesDimethyl 2-(Methoxymethylene)malonate is a useful synthetic intermediate. It is used in preparation of (phenoxyethoxy)quinolones with antimalarial activities. It is also a reagent used in the synthesis of bicyclic pyridones prepn. as oral selective CB2 agonists with anti-pruritic activity.