2',4',6'-Trimethylchalcone
Basic information
- CAS
6332-04-3- Standard SMILES
Cc1cc(C)c(C(=O)/C=C/c2ccccc2)c(C)c1- InChIKey
FLJAEHNSTVEODG-MDZDMXLPSA-N- Molecular formula
- C18H18O
- Average molar mass
- 250.3 g/mol
- Monoisotopic mass
- 250.13576519
Names & identifiers
- Preferred name
- 2',4',6'-Trimethylchalcone
- IUPAC
- (E)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-one
- English name
- 2-Propen-1-one,3-phenyl-1-(2,4,6-trimethylphenyl)-
- Molecular formula
- C18H18O
- Molecular weight
- 250.34
Names & synonyms
2',4',6'-TRIMETHYLCHALCONERefChem:439405666-018-1NSC64463855800-30-12-Propen-1-one, 3-phenyl-1-(2,4,6-trimethylphenyl)-, (E)-NSC37616(E)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-oneCHEMBL33662NSC-37616NSC1712461-Mesityl-3-phenyl-2-propen-1-one
Show more names
2-Propen-1-one,3-phenyl-1-(2,4,6-trimethylphenyl)-
AKOS022507140NSC-171246NSC-6446386332-04-3(e)-1-mesityl-3-phenylprop-2-en-1-one
Database identifiers
- CAS
6332-04-3- PubChem CID
- 5355477
- ChEMBL
CHEMBL33662- EC Number
- 666-018-1
- Nikkaji
- J329.738A、J571.651I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 63 °C · 63 °C
- Boiling point
- 196 °C · 196 °C(Press: 5 Torr)
- Density
- 1.049 · 1.049±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (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 CategoriesAquatic Chronic 2 (100%)
Safety data
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
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Compound notes
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