1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
Basic information
- CAS
22711-21-3- Standard SMILES
COc1ccc(C(=O)C(=O)c2ccccc2)cc1- InChIKey
NTINAJCDYRYMML-UHFFFAOYSA-N- Molecular formula
- C15H12O3
- Average molar mass
- 240.25 g/mol
- Monoisotopic mass
- 240.07864424
Names & identifiers
- Preferred name
- 1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
- IUPAC
- 1-(4-methoxyphenyl)-2-phenylethane-1,2-dione
- English name
- p-Methoxybenzil
- Molecular formula
- C15H12O3
- Molecular weight
- 240.25
Names & synonyms
1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione1-(4-Methoxyphenyl)-2-phenyl-1,2-ethanedioneRefChem:425726636-591-24-Methoxybenzil22711-21-3p-Methoxybenzil1-(4-methoxyphenyl)-2-phenylethane-1,2-dioneBENZIL, 4-METHOXY-Ethanedione, (4-methoxyphenyl)phenyl-NSC 39465EAT6GLQ2BR
Show more names
(4-methoxyphenyl)phenyl-ethanedion2-(4-Methoxyphenyl)-1-phenylethanedione1-(4-methoxyphenyl)-2-phenylethanedione
MFCD00017176NSC-39465BRN 2052507Phenyl 4-methoxyphenyl diketone4-methoxy-benziNSC39465Dibenzoyl, 4-methoxy1-Phenyl-2-(4-methoxyphenyl)ethanedione
Database identifiers
- CAS
22711-21-3- PubChem CID
- 31494
- DTXSID
DTXSID40177245- ChEMBL
CHEMBL192474- UNII
- EAT6GLQ2BR
- EC Number
- 636-591-2
- Nikkaji
- J41.321F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 GLQ2BR · EAT6GLQ2BR
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
1 records
Compound notes
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