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Cas Database

Name	4-Methylchalcone	EINECS	N/A
CAS No.	4224-87-7	Density	1.078g/cm³
PSA	17.07000	LogP	3.89110
Solubility	N/A	Melting Point	N/A
Formula	C16H14 O	Boiling Point	363.6°Cat760mmHg
Molecular Weight	222.287	Flash Point	157.7°C
Transport Information	N/A	Appearance	N/A
Safety	A poison by intraperitoneal route. Moderately toxic by ingestion. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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	Article Data	257

4-Methylchalcone Chemical Properties

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

4-Methylchalcone Toxicity Data With Reference

1.		orl-mus LD:>1 g/kg		PHARAT Pharmazie. 46 (1991),542.
2.		ipr-mus LD50:>75 mg/kg		PHARAT Pharmazie. 46 (1991),542.

4-Methylchalcone Safety Profile

A poison by intraperitoneal route. Moderately toxic by ingestion. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.

4-Methylchalcone Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

4-Methylchalcone Specification

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 .

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