Basic information
- CAS
21129-06-6- Standard SMILES
CC(=O)OC(OC(C)=O)C(C)c1ccccc1- InChIKey
ZBGDNICKLCRTBW-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- 2-Phenyl-propane-1,1-diol diacetate
- IUPAC
- (1-acetyloxy-2-phenylpropyl) acetate
- English name
- (1-acetyloxy-2-phenyl-propyl) acetate
- Molecular formula
- C13H16O4
- Molecular weight
- 236.26
Names & synonyms
21129-06-62-Phenyl-propane-1,1-diol diacetateNSC44550(1-ACETYLOXY-2-PHENYL-PROPYL) ACETATEZBGDNICKLCRTBW-UHFFFAOYSA-NNSC-445501-(Acetyloxy)-2-phenylpropyl acetate #1,1-Propanediol, 2-phenyl-, 1,1-diacetate
Database identifiers
- CAS
21129-06-6- PubChem CID
- 239459
- Nikkaji
- J986.893C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 314.9 · 314.9±22.0 °C(Predicted)
- Density
- 1.109 · 1.109±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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