ChemicalBook--->CAS DataBase List--->1469-94-9

1469-94-9

1469-94-9 Structure

1469-94-9 Structure
IdentificationMore
[Name]

1-(2-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE
[CAS]

1469-94-9
[Synonyms]

1-(2-HYDROXYLPHENYL)-3-PHENYL-1,3-PROPANEDIONE
1-(2-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE
1-(2-HYDROXYPHENYL)-3-PHENYLPROPANE-1,3-DIONE
1-(O-HYDROXYPHENYL)-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-
2-Hydroxydibenzoylmethane
Benzoyl (2-hydroxybenzoyl)methane
1-(2-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE 98%
1-Phenyl-3-(2-hydroxyphenyl)-1,3-propanedione
1-Phenyl-3-(2-hydroxyphenyl)propane-1,3-dione
[Molecular Formula]

C15H12O3
[MDL Number]

MFCD00043495
[Molecular Weight]

240.25
[MOL File]

1469-94-9.mol
Chemical PropertiesBack Directory
[Appearance]

yellow crystalline powder
[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
[pka]

7.80±0.30(Predicted)
[InChI]

1S/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
[InChIKey]

OABFIJGAEVKMJP-UHFFFAOYSA-N
[SMILES]

Oc1ccccc1C(=O)CC(=O)c2ccccc2
[CAS DataBase Reference]

1469-94-9(CAS DataBase Reference)
[EPA Substance Registry System]

1,3-Propanedione, 1-(2-hydroxyphenyl)-3-phenyl- (1469-94-9)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29145090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

yellow crystalline powder
[Uses]

1-(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.
[Definition]

ChEBI: 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 Description]

1-(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.
Spectrum DetailBack Directory
[Spectrum Detail]

1-(2-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE(1469-94-9)FT-IR
1-(2-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE(1469-94-9)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-(2-Hydroxylphenyl)-3-phenyl-1,3-propanedione, 98%(1469-94-9)
[Alfa Aesar]

Benzoyl(2-hydroxybenzoyl)methane, 98%(1469-94-9)
[Sigma Aldrich]

1469-94-9(sigmaaldrich)
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