CAS No.1469-94-9,1-(2-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1469-94-9
Name:	1-(2-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE
Article Data:	57

Formula:	C₁₅H₁₂O₃
Molecular Weight:	240.258
Synonyms:	1,3-Propanedione,1-(o-hydroxyphenyl)-3-phenyl- (6CI,7CI,8CI);1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione;1-(2'-Hydroxyphenyl)-3-phenylpropane-1,3-dione;2-o-Hydroxybenzoylacetophenone;NSC 31881;2'-Hydroxydibenzoylmethane;a-Benzoyl-2-hydroxyacetophenone;NSC631975;
Density:	1.23 g/cm³
Melting Point:	120-122 °C(lit.)
Boiling Point:	421 °C at 760 mmHg
Flash Point:	222.6 °C
Appearance:	yellow crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	54.37000
LogP:	2.84790

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Specification

The 1,3-Propanedione,1-(2-hydroxyphenyl)-3-phenyl-, with the CAS registry number 1469-94-9, is also known as o-Hydroxydibenzoylmethane. It belongs to the product categories of C15 to C38; Carbonyl Compounds; Ketones. This chemical's molecular formula is C₁₅H₁₂O₃ and molecular weight is 240.25398. Its IUPAC name is called 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione. This chemical is yellow crystalline powder.

Physical properties of 1,3-Propanedione,1-(2-hydroxyphenyl)-3-phenyl-: (1)ACD/LogP: 3.34; (2)ACD/LogD (pH 5.5): 3.34; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 203.91; (5)ACD/BCF (pH 7.4): 177.82; (6)ACD/KOC (pH 5.5): 1564.85; (7)ACD/KOC (pH 7.4): 1364.63; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.61; (12)Molar Refractivity: 67.76 cm³; (13)Molar Volume: 195.3 cm³; (14)Surface Tension: 53.4 dyne/cm; (15)Density: 1.23 g/cm³; (16)Flash Point: 222.6 °C; (17)Enthalpy of Vaporization: 70.11 kJ/mol; (18)Boiling Point: 421 °C at 760 mmHg; (19)Vapour Pressure: 1.1E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2O
(2)InChI: 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
(3)InChIKey: OABFIJGAEVKMJP-UHFFFAOYSA-N