1,1,1-Triphenylacetone
Basic information
- CAS
795-36-8- Standard SMILES
CC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
LZIVBWLOLYCDAZ-UHFFFAOYSA-N- Molecular formula
- C21H18O
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.13576519
Names & identifiers
- Preferred name
- 1,1,1-Triphenylacetone
- IUPAC
- 1,1,1-triphenylpropan-2-one
- English name
- 1,1,1-triphenylpropan-2-one
- Molecular formula
- C21H18O
- Molecular weight
- 286.37
Names & synonyms
1,1,1-TriphenylacetoneRefChem:409516660-945-51,1,1-triphenylpropan-2-one795-36-82-Propanone,1,1,1-triphenyl-NSC170883methyl triphenylmethyl ketone1,1,1-Triphenylacetone #SCHEMBL3523419SCHEMBL11815241DTXSID90305490
Show more names
LZIVBWLOLYCDAZ-UHFFFAOYSA-N2-Propanone, 1,1,1-triphenyl-AKOS016347191NSC-170883
Database identifiers
- CAS
795-36-8- PubChem CID
- 298660
- DTXSID
DTXSID90305490- EC Number
- 660-945-5
- Nikkaji
- J1.488.595A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 137 · 137-138 °C
- Boiling point
- 395.9 · 395.9±11.0 °C(Predicted)
- Density
- 1.209 g/cm3 · 1.209 g/cm3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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, 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
- Hazard statements
- H413-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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