2,4-Pentadien-1-one,1-(4-methylphenyl)-5-phenyl- supplier

Name
(2E,4E)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
EINECS
CAS No. 30313-22-5
Article Data21
CAS DataBase
Density 1.067 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₆O
Boiling Point 413.4 °C at 760 mmHg
Molecular Weight 248.324
Flash Point 181.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 166440;1-Phenyl-5-p-tolyl-1,3-pentadien-5-one;1-(4-Methylphenyl)-5-phenyl-2,4-pentadien-1-one;2,4-Pentadienophenone,4'-methyl-5-phenyl- (7CI);1-(4-Methylphenyl)-5-phenylpenta-2,4-dien-1-one;
PSA
LogP

2,4-Pentadien-1-one,1-(4-methylphenyl)-5-phenyl- Specification

The 2,4-Pentadien-1-one,1-(4-methylphenyl)-5-phenyl-, with the CAS registry number 30313-22-5, is also known as 1-(4-Methylphenyl)-5-phenyl-2,4-pentadien-1-one. This chemical's molecular formula is C₁₈H₁₆O and molecular weight is 248.32. What's more, its systematic name is 1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one.

Physical properties of 2,4-Pentadien-1-one,1-(4-methylphenyl)-5-phenyl- are: (1)ACD/LogP: 4.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.27; (4)ACD/LogD (pH 7.4): 4.27; (5)ACD/BCF (pH 5.5): 1031.58; (6)ACD/BCF (pH 7.4): 1031.58; (7)ACD/KOC (pH 5.5): 4996.5; (8)ACD/KOC (pH 7.4): 4996.5; (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: 1.615; (14)Molar Refractivity: 81.25 cm³; (15)Molar Volume: 232.7 cm³; (16)Polarizability: 32.21×10^-24cm³; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.067 g/cm³; (19)Flash Point: 181.3 °C; (20)Enthalpy of Vaporization: 66.62 kJ/mol; (21)Boiling Point: 413.4 °C at 760 mmHg; (22)Vapour Pressure: 4.81E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)C(=O)C=CC=CC2=CC=CC=C2
(2)InChI: InChI=1S/C18H16O/c1-15-11-13-17(14-12-15)18(19)10-6-5-9-16-7-3-2-4-8-16/h2-14H,1H3
(3)InChIKey: RZQJWYNOZJISEX-UHFFFAOYSA-N

Product Name

(2E,4E)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one

2,4-Pentadien-1-one,1-(4-methylphenyl)-5-phenyl- Specification

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