Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate
Basic information
- CAS
21339-47-9- Standard SMILES
CCOC(=O)C(CC(OCC)OCC)C(=O)OCC- InChIKey
VQUXMFKGQFXVBC-UHFFFAOYSA-N- Molecular formula
- C13H24O6
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.15728848
Names & identifiers
- Preferred name
- Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate
- IUPAC
- diethyl 2-(2,2-diethoxyethyl)propanedioate
- English name
- 3,3-Diethoxypropane-1,1-dicarboxylic acid diethyl ester
- Molecular formula
- C13H24O6
- Molecular weight
- 276.33
Names & synonyms
21339-47-9Diethyl 3,3-Diethoxypropane-1,1-dicarboxylateDiethyl 2-(2,2-diethoxyethyl)malonate3,3-Diethoxypropane-1,1-dicarboxylic Acid Diethyl Esterdiethyl 2-(2,2-diethoxyethyl)propanedioateMFCD00671525NSC170303Diethyl3,3-Diethoxypropane-1,1-dicarboxylate1,3-diethyl 2-(2,2-diethoxyethyl)propanedioateSCHEMBL131332diethyl 2,2-diethoxyethylmalonateDTXSID50305335
Show more names
DiethoxypropanedicarboxylicaciddiethylesterDiethyl3,3-Diethoxypropane-1,1-dicarboxylate>3,3-Diethoxypropane-1,1-dicarboxylic acid diethyl esterPropanedioic acid, 2-(2,2-diethoxyethyl)-, 1,3-diethyl ester
CS-B0606AKOS015917963NSC-170303Diethyl (2,2-diethoxyethyl)propanedioateAS-10066SY006093D24383,3-dicarboethoxypropionaldehyde di-ethylacetal
Database identifiers
- CAS
21339-47-9- PubChem CID
- 298328
- DTXSID
DTXSID50305335
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 146 · 146-147 °C(Press: 9 Torr)
- Density
- 1.048 · 1.048±0.06 g/cm3(Predicted)
- refractive index
- 1.427 to · 1.4270 to 1.4290
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- pka
- 12.75 · 12.75±0.59(Predicted)
- color
- Colorless to Almost colorless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
- 2917198090 · 2917198090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2917198090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
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