DL-Benzoin benzoate
Basic information
- CAS
1459-20-7- Standard SMILES
O=C(OC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1- InChIKey
FGOSBCXOMBLILW-UHFFFAOYSA-N- Molecular formula
- C21H16O3
- Average molar mass
- 316.3 g/mol
Names & identifiers
- Preferred name
- DL-Benzoin benzoate
- IUPAC
- (2-oxo-1,2-diphenylethyl) benzoate
- English name
- Desyl benzoate
- Molecular formula
- C21H16O3
- Molecular weight
- 316.35
Names & synonyms
DL-BENZOIN BENZOATERefChem:589927667-504-6Desyl benzoatebenzoin benzoate1459-20-72-Oxo-1,2-diphenylethyl benzoateDESYLBENZOATE(2-oxo-1,2-diphenylethyl) benzoateCHEMBL3601172Ethanone, 2-(benzoyloxy)-1,2-diphenyl-NCIOpen2_007901
Show more names
benzoic acid [2-keto-1,2-di(phenyl)ethyl] esteralpha-Benzoyloxy-alpha-phenylacetophenone
Oprea1_078052SCHEMBL343011NSC60084BDBM50107322NSC-600842-Oxo-1,2-diphenylethyl benzoate #(2-oxo-1,2-diphenyl-ethyl) benzoateAKOS002910672
Database identifiers
- CAS
1459-20-7- PubChem CID
- 246708
- ChEMBL
CHEMBL3601172- EC Number
- 667-504-6
- Nikkaji
- J281.955D
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Melting point
- 123 · 123-124 °C
- Boiling point
- 499 · 499.0±33.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H410
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H410
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Applications
UsesBenzoin Benzoate has been used as a reactant for the preparation of furan and thiophene derivatives.
Related reactions
4 records
Compound notes
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