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CAS No.: | 4224-87-7 |
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Name: | 3-(4-methylphenyl)-1-phenyl-prop-2-en-1-one |
Article Data: | 257 |
Molecular Structure: | |
Formula: | C16H14 O |
Molecular Weight: | 222.287 |
Synonyms: | Chalcone,4-methyl- (6CI,7CI,8CI); (4-Methylbenzylidene)acetophenone;1-Phenyl-3-(4-methylphenyl)-2-propenone; 1-Phenyl-3-(4-tolyl)-2-propen-1-one;3-(4-Methylphenyl)-1-phenyl-2-propen-1-one;3-(p-Methylphenyl)-1-phenyl-2-propen-1-one; 4-Methylchalcone; 4-Methylstyrylphenyl ketone; NSC 39793; Phenyl p-methylstyryl ketone; p-Methylchalcone;p-Methylstyryl phenyl ketone |
Density: | 1.078g/cm3 |
Boiling Point: | 363.6°Cat760mmHg |
Flash Point: | 157.7°C |
Safety: | A poison by intraperitoneal route. Moderately toxic by ingestion. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors. |
PSA: | 17.07000 |
LogP: | 3.89110 |
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Molecular Formula: C16H14O
Molar mass: 222.2818 g/mol
EINECS: 208-296-5
Density: 1.078 g/cm3
Flash Point: 157.8 °C
Index of Refraction: 1.615
Boiling Point: 363.6 °C at 760 mmHg
Vapour Pressure: 1.79E-05 mmHg at 25°C
Product categories of 4-Methylchalcone (4224-87-7): Chalcones
Structure of 4-Methylchalcone (4224-87-7):
XLogP3-AA: 3.4
H-Bond Donor: 0
H-Bond Acceptor: 1
Systematic Name: (E)-1-Phenyl-3-(p-tolyl)prop-2-en-1-one
SMILES: O=C(/C=C/c1ccc(cc1)C)c2ccccc2
InChI: InChI=1/C16H14O/c1-13-7-9-14(10-8-13)11-12-16(17)15-5-3-2-4-6-15/h2-12H,1H3/b12-11+
InChIKey: XNLFHCPVTULKIV-VAWYXSNFBK
Std. InChI: InChI=1S/C16H14O/c1-13-7-9-14(10-8-13)11-12-16(17)15-5-3-2-4-6-15/h2-12H,1H3/b12-11+
Std. InChIKey: XNLFHCPVTULKIV-VAWYXSNFSA-N
1. | orl-mus LD:>1 g/kg | PHARAT Pharmazie. 46 (1991),542. | ||
2. | ipr-mus LD50:>75 mg/kg | PHARAT Pharmazie. 46 (1991),542. |
A poison by intraperitoneal route. Moderately toxic by ingestion. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
DOT Classification: 3; Label: Flammable Liquid
4-Hydroxy-N,N-dimethyltryptamine (520-53-6) also can be called Chalcone, 4-methyl- ; 2-Propen-1-one, 3- (4-methylphenyl)-1-phenyl- ; 3-(4-methylphenyl)-1-phenylprop-2-en-1-one ; 3-(4-Methyl-phenyl)-1-phenyl-propenone ; (4-Methylbenzylidene)acetophenone ; 2-Propen-1-one, 3-(4-methylphenyl)-1-phenyl- and 3-(4-Methylphenyl)-1-phenyl-2-propen-1-one .