CAS 40967-67-7 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate (HCID 291192)

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Basic information

CAS: 40967-67-7
Standard SMILES: COC(=O)CC(C(=O)OC)C(=O)OC
InChIKey: CFXNPIZDNPUMFS-UHFFFAOYSA-N
Molecular formula: C8H12O6
Average molar mass: 204.18 g/mol
Monoisotopic mass: 204.0633881

Names & identifiers

Preferred name: 1,1,2-Trimethyl ethane-1,1,2-tricarboxylate
IUPAC: trimethyl ethane-1,1,2-tricarboxylate
English name: 2-Methoxycarbonylsuccinic acid dimethyl ester
Molecular formula: C8H12O6
Molecular weight: 204.18

Names & synonyms

1,1,2-trimethyl ethane-1,1,2-tricarboxylateRefChem:409599627-094-1Trimethyl ethane-1,1,2-tricarboxylate40967-67-72-Methoxycarbonyl-succinic acid dimethyl esterMFCD000156191,1,2-Ethanetricarboxylic acid, trimethyl esterNSC156145SCHEMBL64421621,1,2-(tricarbomethoxy)ethaneSCHEMBL11471021

Show more names

TriMethylethaTrimethyl 1,1,2-ethanetricarboxylate1,1,2-Ethanetricarboxylic acid trimethyl esterpotassium (2S,3R,4R)-2,3,4,5-tetrahydroxypentanoate1,1,2-Ethanetricarboxylic acid 1,1,2-trimethyl ester1,1,2-EthanetricarboxChemicalbookylicacidtrimethylester

DTXSID80303026Trimethyl ethane-112-tricarboxylateTrimethyl-1,1,2-ethanetricarboxylateTrimethylethane-1,1,2-tricarboxylateAKOS005145858CS-W023095GS-4421NSC-156145

Database identifiers

CAS: 40967-67-7
PubChem CID: 291192

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 78.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 14
Formal charge: 0
Complexity: 218

Physicochemical properties

Melting point: 34 · 34-35 °C
Boiling point: 98 · 98-102 °C(Press: 0.5 Torr)
Density: 1.191 · 1.191±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 11.66 · 11.66±0.59(Predicted)
Appearance: 35 °C · Colorless to light yellow 35°C Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesDimethyl 2-methoxycarbonylsuccinate is an organic intermediate that can be prepared in one step from dimethyl malonate and methyl bromoacetate. Dimethyl 2-methoxycarbonylsuccinate can be used to prepare allyl succinic anhydride. Allyl succinic anhydride can not only be used as an intermediate in the synthesis of various active compounds, but it can also be formulated into silicon reagents with wide applications in functional materials.