1,5-Diethyl 2-oxopentanedioate
Basic information
- CAS
5965-53-7- Standard SMILES
CCOC(=O)CCC(=O)C(=O)OCC- InChIKey
NGRAIMFUWGFAEM-UHFFFAOYSA-N- Molecular formula
- C9H14O5
- Average molar mass
- 202.2 g/mol
- Monoisotopic mass
- 202.08412354
Names & identifiers
- Preferred name
- 1,5-Diethyl 2-oxopentanedioate
- IUPAC
- diethyl 2-oxopentanedioate
- English name
- Diethyl oxalpropionate
- Molecular formula
- C9H14O5
- Molecular weight
- 202.2
Names & synonyms
5965-53-7Diethyl alpha-ketoglutarateD9H7KZF90HNSC-111179DTXSID602083281,5-diethyl 2-oxopentanedioateRefChem:1053432DTXCID80130819227-750-3diethyl 2-oxopentanedioateDiethyl 2-oxoglutarateMFCD00032382
Show more names
diethyl 2-ketoglutarateiethyl2-oxopentanedioateDiethyl oxalpropionate,97%1,5-Diethyl alpha-oxo-glutarate2-Oxoglutaric acid diethyl ester2-Ketoglutaric acid diethyl esterPentanedioicacid,2-oxo-,diethylester2-Oxopentanedioic acid diethyl ester
diethyl oxalopropionateEthyl ethoxalylpropionate.alpha.-Ketoglutaric acid diethyl esterPentanedioic acid, 2-oxo-, diethyl esterNSC111179UNII-D9H7KZF90HEINECS 227-750-3Glutaric acid, 2-oxo-, diethyl ester
Database identifiers
- CAS
5965-53-7- PubChem CID
- 80070
- DTXSID
DTXSID60208328- UNII
- D9H7KZF90H
- EC Number
- 227-750-3
- Nikkaji
- J223.916G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 126 · 126-128°C 12mm
- Density
- 0 · 0,98 g/cm3
- Flash point
- 113 °C · >113°C
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- InChI
- 1S/C9H14O5/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h3-6H2,1-2H3
- InChIKey
- NGRAIMFUWGFAEM-UHFFFAOYSA-N
- SMILES
- CCOC(=O)CCC(=O)C(=O)OCC
- FDA UNII
- 9 H7KZF90H · D9H7KZF90H
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · 3
- Storage Class
- 10 · 10 - Combustible liquids
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
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
3 records
Compound notes
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