Basic information
- CAS
20803-88-7- Standard SMILES
CC(=O)OC(Cc1ccccc1)OC(C)=O- InChIKey
OOKJPCMVVRIOSO-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Names & identifiers
- Preferred name
- 1,1-Ethanediol, 2-phenyl-, 1,1-diacetate
- IUPAC
- (1-acetyloxy-2-phenylethyl) acetate
- English name
- 2-Phenylethane-1,1-diol diacetate
- Molecular formula
- C12H14O4
- Molecular weight
- 222.24
Names & synonyms
1,1-Ethanediol, 2-phenyl-, 1,1-diacetate20803-88-72-Phenyl-1,1-ethanediol, diacetate1,1-Ethanediol, 2-phenyl-, diacetateDTXSID00885152RefChem:71134DTXCID8010245502-phenylethane-1,1-diyl diacetate2-Phenylethane-1,1-diol diacetateSCHEMBL31553563OOKJPCMVVRIOSO-UHFFFAOYSA-N2-Phenyl-1,1-ethanediol diacetate
Show more names
Diacetic acid 2-phenylethylidene ester
Database identifiers
- CAS
20803-88-7- PubChem CID
- 89388
- DTXSID
DTXSID00885152- Nikkaji
- J422.080C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 64 · 64-65 °C
- Boiling point
- 185 · 185-188 °C(Press: 7 Torr)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1,1-Ethanediol, 2-phenyl-, diacetate (20803-88-7)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,1-Ethanediol, 2-phenyl-, 1,1-diacetate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…