4-(2-Acetoxyacetyl)phenyl acetate
Basic information
- CAS
42528-99-4- Standard SMILES
CC(=O)OCC(=O)c1ccc(OC(C)=O)cc1- InChIKey
UYGKCTFMRDCXJL-UHFFFAOYSA-N- Molecular formula
- C12H12O5
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.06847348
Names & identifiers
- Preferred name
- 4-(2-Acetoxyacetyl)phenyl acetate
- IUPAC
- [2-(4-acetyloxyphenyl)-2-oxoethyl] acetate
- English name
- 4-(2-acetoxyacetyl)phenyl acetate
- Molecular formula
- C12H12O5
- Molecular weight
- 236.22
Names & synonyms
4-(2-Acetoxyacetyl)phenyl acetate42528-99-4[2-(4-acetyloxyphenyl)-2-oxoethyl] acetateEINECS 255-870-64-[(acetyloxy)acetyl]phenyl acetate[2-(4-acetyloxyphenyl)-2-oxo-ethyl] acetateSCHEMBL11386189DTXSID10195315UYGKCTFMRDCXJL-UHFFFAOYSA-NMFCD28106838STL507802AKOS028113551
Show more names
Clemastine Impurity 9α,4'-Diacetoxyacetophenone2-(4-acetyloxyphenyl)-2-oxo-ethyl] acetate2-(Acetyloxy)-1-[4-(acetyloxy)phenyl]ethanoneEthanone, 2-(acetyloxy)-1-[4-(acetyloxy)phenyl]-
HY-W711166PD192617[2-(4-acetoxyphenyl)-2-oxo-ethyl] acetateNS00031202
Database identifiers
- CAS
42528-99-4- PubChem CID
- 3016367
- DTXSID
DTXSID10195315- EC Number
- 255-870-6
- Nikkaji
- J309.940G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
Uses4-(2-Acetoxyacetyl)phenyl Acetate is a general reagent used for the synthesis of glycol metabolites.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…