1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione

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1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione Basic information
Product Name:1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione
Synonyms:2-(3-Oxo-3-phenylpropanoyl)phenol;1-(O-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE;1-(2-HYDROXYLPHENYL)-3-PHENYL-1,3-PROPANEDIONE;O-HYDROXYDIBENZOYLMETHANE;TIMTEC-BB SBB008009;1-(2-hydroxyphenyl)-3-phenyl-3-propanedione;1,3-Propanedione, 1-(2-hydroxyphenyl)-3-phenyl-;Benzoyl (2-hydroxybenzoyl)methane
CAS:1469-94-9
MF:C15H12O3
MW:240.25
EINECS:
Product Categories:C15 to C38;Carbonyl Compounds;Ketones
Mol File:1469-94-9.mol
1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione Structure
1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione Chemical Properties
Melting point 120-122 °C (lit.)
Boiling point 421.0±25.0 °C(Predicted)
density 1.230±0.06 g/cm3(Predicted)
storage temp. under inert gas (nitrogen or Argon) at 2-8°C
pka7.80±0.30(Predicted)
InChI1S/C15H12O3/c16-13-9-5-4-8-12(13)15(18)10-14(17)11-6-2-1-3-7-11/h1-9,16H,10H2
InChIKeyOABFIJGAEVKMJP-UHFFFAOYSA-N
SMILESOc1ccccc1C(=O)CC(=O)c2ccccc2
CAS DataBase Reference1469-94-9(CAS DataBase Reference)
EPA Substance Registry System1,3-Propanedione, 1-(2-hydroxyphenyl)-3-phenyl- (1469-94-9)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
WGK Germany 3
TSCA TSCA listed
HS Code 29145090
Storage Class11 - Combustible Solids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione Usage And Synthesis
Chemical Propertiesyellow crystalline powder
Uses1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione is a chalcone. It has been isolated from the stem bark of Millettia ovalifolia and the root bark of Pongamia pinnata. It can be prepared by the benzoylation of ortho-hydroxyacetophenone in pyridine. It has been reported to crystallize in the triclinic space group. It exists in two enolic tautomeric forms in which the hydroxyl and phenolic protons are linked to the ketonic oxygen atom via hydrogen bonds. It forms (1:1) inclusion compounds by reacting with formaldehyde in the presence of various 1-arylpiperazines.
DefinitionChEBI: 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione is a member of dihydrochalcones.
Synthesis Reference(s)Synthesis, p. 839, 1992 DOI: 10.1055/s-1992-26241
General Description1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione is a chalcone. It has been isolated from the stem bark of Millettia ovalifolia and the root bark of Pongamia pinnata. It can be prepared by the benzoylation of ortho-hydroxyacetophenone in pyridine. It has been reported to crystallize in the triclinic space group. It exists in two enolic tautomeric forms in which the hydroxyl and phenolic protons are linked to the ketonic oxygen atom via hydrogen bonds. It forms (1:1) inclusion compounds by reacting with formaldehyde in the presence of various 1-arylpiperazines.
Tag:1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione(1469-94-9) Related Product Information
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