Basic information
- CAS
83124-88-3- Standard SMILES
CCOC(=O)CC(=O)CC(OCC)OCC- InChIKey
MEUWDIPNEGSWNH-UHFFFAOYSA-N- Molecular formula
- C11H20O5
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.13107373
Names & identifiers
- Preferred name
- Ethyl 5,5-diethoxy-3-oxopentanoate
- IUPAC
- ethyl 5,5-diethoxy-3-oxopentanoate
- English name
- Pentanoic acid, 5,5-diethoxy-3-oxo-, ethyl ester
- Molecular formula
- C11H20O5
- Molecular weight
- 232.27
Names & synonyms
ethyl 5,5-diethoxy-3-oxopentanoate83124-88-3Pentanoic acid, 5,5-diethoxy-3-oxo-, ethyl esterMFCD25967576Ethyl 5,5-diethoxy-3-oxo-pentanoate5,5-Diethoxy-3-oxopentansaeure-ethylesterSCHEMBL16415508MEUWDIPNEGSWNH-UHFFFAOYSA-NDTXSID201237743SY264974E86250F852943
Database identifiers
- CAS
83124-88-3- PubChem CID
- 12765663
- DTXSID
DTXSID201237743- EC Number
- 195-984-2
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 80 · 80-85 °C(Press: 0.005 Torr)
- Density
- 1.037 · 1.037±0.06 g/cm3(Predicted)
- pka
- 10.56 · 10.56±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
2 records
Compound notes
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