Benzoin acetate
Basic information
- CAS
574-06-1- Standard SMILES
CC(=O)OC(C(=O)c1ccccc1)c1ccccc1- InChIKey
QRWAIZJYJNLOPG-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Names & identifiers
- Preferred name
- Benzoin acetate
- IUPAC
- (2-oxo-1,2-diphenylethyl) acetate
- English name
- alpha-Acetoxy-deoxybenzoin
- Molecular formula
- C16H14O3
- Molecular weight
- 254.28
Names & synonyms
Benzoin acetateO-AcetylbenzoinBenzoin, acetateEthanone, 2-(acetyloxy)-1,2-diphenyl-DTXSID7024580NSC 80888KD59RC90VNSC-8088UNII-8KD59RC90VDTXCID804580BENZOYL(PHENYL)METHYL ACETATE1,2-DIPHENYL-2-OXOETHYL ACETATE
Show more names
acetylbenzoinα-acetoxydeoxybenzoinα-AcetoxydeoxybenzoinA-PHENYLPHENACYL ACETATEα-phenylphenacyl acetate[R,(-)]-Benzoin α-acetate(S)-α-Acetoxydeoxybenzoinalpha-Acetoxy-deoxybenzoin
2-(ACETYLOXY)-1,2-DIPHENYLETHANONERefChem:118512Benzoin, acetate (8CI)(+-)-BENZOIN ACETATEBENZOIN ACETATE, (+-)-QRWAIZJYJNLOPG-UHFFFAOYSA-N574-06-12-Oxo-1,2-diphenylethyl acetate
Database identifiers
- CAS
574-06-1- PubChem CID
- 95416
- DTXSID
DTXSID7024580- ChEMBL
CHEMBL1597449- UNII
- 8KD59RC90V
- Nikkaji
- J70.965D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 81 · 81-82 °C(lit.)
- Boiling point
- 379.3 · 379.3±22.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- Stability
- Stable. Incompatible with strong oxidizing agents.
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 KD59RC90V · 8KD59RC90V
- EPA Substance Registry System
- 2 · Ethanone, 2-(acetyloxy)-1,2-diphenyl- (574-06-1)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- 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
- wgk
- 3
- tsca
- TSCA listed
- safety_code
- 22-24/25
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 2-(acetyloxy)-1,2-diphenyl-: INACTIVE
Suppliers
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Related reactions
4 records
Compound notes
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