Ethylylidene triacetate
Basic information
- CAS
2983-35-9- Standard SMILES
CC(=O)OCC(OC(C)=O)OC(C)=O- InChIKey
AAGNGQHUXRGJEP-UHFFFAOYSA-N- Molecular formula
- C8H12O6
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.0633881
Names & identifiers
- Preferred name
- Ethylylidene triacetate
- IUPAC
- 2,2-diacetyloxyethyl acetate
- English name
- ethylylidene triacetate
- Molecular formula
- C8H12O6
- Molecular weight
- 204.18
Names & synonyms
Ethylylidene triacetate1,1,2-Triacetoxyethane2,2-diacetyloxyethyl acetate2983-35-9ELX5T82UMKEINECS 221-041-2NSC-82619ETHANYLYLIDENE ACETATEGLYCOLALDEHYDE TRIACETATEDTXSID40183962NSC 826191,1,2-ETHANETRIOL, 1,1,2-TRIACETATE
Show more names
1,1,2-Ethanetriol triacetate
RefChem:139217DTXCID80106453221-041-2AAGNGQHUXRGJEP-UHFFFAOYSA-N1,1,2-Ethanetriol, triacetate1,2,2-triacetoxyethaneUNII-ELX5T82UMKSCHEMBL1079198
Database identifiers
- CAS
2983-35-9- PubChem CID
- 76325
- DTXSID
DTXSID40183962- UNII
- ELX5T82UMK
- EC Number
- 221-041-2
- Nikkaji
- J205.275J
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 50 · 50-51 °C
- Boiling point
- 125 · 125-130 °C(Press: 11 Torr)
- Density
- 1.191 · 1.191±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- FDA UNII
- 5 T82UMK · ELX5T82UMK
Chemistry & industry
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