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| CAS No.: | 35225-79-7 |
|---|---|
| Name: | DIBENZYLIDENEACETONE |
| Article Data: | 102 |
| Molecular Structure: | |
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| Formula: | C17H14O |
| Molecular Weight: | 234.298 |
| Synonyms: | 1,4-Pentadien-3-one,1,5-diphenyl-, (E,E)-;(E,E)-1,5-Diphenyl-1,4-pentadien-3-one;(E,E)-1,5-Diphenylpenta-1,4-dien-3-one;(E,E)-Dibenzylideneacetone;1E,4E-1,5-Diphenyl-1,4-pentadien-3-one;Bis((E)-2-phenylethenyl) ketone;trans,trans-1,5-Diphenylpenta-1,4-dien-3-one;trans,trans-Dibenzalacetone;trans,trans-Dibenzylideneacetone;(1E,4E)-1,5-diphenyl-1,4-pentadien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1,4-Pentadien-3-one, 1,5-diphenyl-; |
| 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 |
| Solubility: | Soluble in chloroform, acetone, alcohol (slightly), and hot methanol. Insoluble in water. |
| Appearance: | Yellow crystalline powder |
| Safety: | 22-24/25 |
| PSA: | 17.07000 |
| LogP: | 3.98230 |
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Specification
The 1,5-Diphenylpenta-1,4-dien-3-one, with the CAS registry number 35225-79-7 and EINECS registry number 208-697-5, has the systematic name of (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one. And the molecular formula of this chemical is C17H14O. It is a kind of yellow crystalline powder, and belongs to the following product categories: Medical Intermediates; Adehydes, Acetals & Ketones. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The physical properties of 1,5-Diphenylpenta-1,4-dien-3-one are as following: (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)Polarizability: 30.77×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 176.2 °C; (20)Enthalpy of Vaporization: 65.16 kJ/mol; (21)Boiling Point: 400.7 °C at 760 mmHg; (22)Vapour Pressure: 1.25E-06 mmHg at 25°C.
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