CAS No.538-58-9,DIBENZYLIDENEACETONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	538-58-9
Name:	DIBENZYLIDENEACETONE
Article Data:	123

Formula:	C₁₇H₁₄O
Molecular Weight:	234.298
Synonyms:	3-Pentadienone,1,5-diphenyl- (6CI);1,5-Diphenyl-1,4-pentadien-3-one;1,5-Diphenyl-1,4-pentadienone;1,5-Diphenyl-3-pentadienone;Bis(2-phenylethenyl) ketone;Bis(2-phenylvinyl) ketone;Dibenzalacetone;Dibenzylideneacetone;Distyryl ketone;NSC 117234;NSC 623642;NSC 8103;Styrolketone;
EINECS:	208-697-5
Density:	1.1 g/cm³
Melting Point:	107-113 °C
Boiling Point:	400.7 °C at 760 mmHg
Flash Point:	176.2 °C
Appearance:	yellow powder
Safety:	22-24/25
PSA:	17.07000
LogP:	3.98230

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Specification

The 1,4-Pentadien-3-one,1,5-diphenyl-, with the CAS registry number 538-58-9, is also known as Bis(2-phenylvinyl) ketone. Its EINECS registry number is 208-697-5. This chemical's molecular formula is C₁₇H₁₄O and molecular weight is 234.29. What's more, its IUPAC name is called 1,5-Diphenylpenta-1,4-dien-3-one. It is yellow powder.

Physical properties about 1,4-Pentadien-3-one,1,5-diphenyl- are: (1) ACD/LogP: 4.87; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.87; (4) ACD/LogD (pH 7.4): 4.87; (5) ACD/BCF (pH 5.5): 2971.57; (6) ACD/BCF (pH 7.4): 2971.57; (7) ACD/KOC (pH 5.5): 10655.12; (8) ACD/KOC (pH 7.4): 10655.12; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 17.07 Å²; (13) Index of Refraction: 1.649; (14) Molar Refractivity: 77.63 cm³; (15) Molar Volume: 212.8 cm³; (16) Surface Tension: 45.7 dyne/cm; (17) Density: 1.1 g/cm³; (18)Flash Point: 176.2 ºC; (19) Enthalpy of Vaporization: 65.16 kJ/mol; (20) Boiling Point: 400.7 ºC at 760 mmHg; (21) Vapour Pressure: 1.25E-06 mmHg at 25 ºC; (22) Melting Point: 107-113 ºC.

Preparation of 1,4-Pentadien-3-one,1,5-diphenyl-: this chemical can be prepared by Benzaldehyde with Propan-2-one. This reaction needs reagent NaOH.

Uses of 1,4-Pentadien-3-one,1,5-diphenyl-: it is used to produce other chemicals. For example, it is used to produce 1,5-Diphenyl-3-styryl-4,5-dihydro-1H-pyrazole. The reaction occurs with reagent Alcohol.

When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. In addition, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(\C=C\c1ccccc1)\C=C\c2ccccc2
(2) InChI: InChI=1/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
(3) InChIKey: WMKGGPCROCCUDY-PHEQNACWBG

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