1,4-Dioxecane-5,10-dione
Basic information
- CAS
15498-31-4- Standard SMILES
O=C1CCCCC(=O)OCCO1- InChIKey
PAALZGOZEUHCET-UHFFFAOYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- 1,4-Dioxecane-5,10-dione
- IUPAC
- 1,4-dioxecane-5,10-dione
- English name
- 1,4-dioxecane-5,10-dione
- Molecular formula
- C8H12O4
- Molecular weight
- 172.18
Names & synonyms
1,4-Dioxecane-5,10-dioneethylene adipateEINECS 239-527-83N8M86C7EVDTXSID40165763ETHYLENE GLYCOL, CYCLIC ADIPATERefChem:73338DTXCID0088254239-527-815498-31-4CYCLIC EG-AA14-Dioxecane-510-dione
Show more names
Adipic acid ethylene ester1,4-Dioxacyclodecane-5,10-dione
UNII-3N8M86C7EVSCHEMBL1162730PAALZGOZEUHCET-UHFFFAOYSA-NMFCD00046967AKOS006274585s11858AS-58077CS-0334002
Database identifiers
- CAS
15498-31-4- PubChem CID
- 84948
- DTXSID
DTXSID40165763- UNII
- 3N8M86C7EV
- EC Number
- 239-527-8
- Nikkaji
- J307.215K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 31 · 31-32 °C
- Boiling point
- 408.5 · 408.5±38.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- FDA UNII
- 3 N8M86C7EV · 3N8M86C7EV
Chemistry & industry
Applications
Uses1,4-Dioxecane-5,10-dione is used in the preparation of block polymers for the chemical industry.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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