1,5-Diphenyl-3-pentanone supplier

Name
Diphenethyl ketone
EINECS
CAS No. 5396-91-8
Article Data69
CAS DataBase
Density 1.038 g/cm³
Solubility
Melting Point 13.5°C
Formula C₁₇H₁₈O
Boiling Point 352 °C at 760 mmHg
Molecular Weight 238.329
Flash Point 153.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Pentanone, 1,5-diphenyl-;1,5-diphenylpentan-3-one;Diphenethyl ketone;Dibenzylacetone;
PSA 17.07000
LogP 3.82110

1,5-Diphenyl-3-pentanone Specification

The 1,5-Diphenyl-3-pentanone, with CAS registry number 5396-91-8, has the systematic name of 1,5-diphenylpentan-3-one. Besides this, it is also called Diphenethyl ketone. Its molecular weight is 238.3242. And the chemical formula of this chemical is C₁₇H₁₈O.

Physical properties of 1,5-Diphenyl-3-pentanone: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 268.93; (6)ACD/BCF (pH 7.4): 268.93; (7)ACD/KOC (pH 5.5): 1908.72; (8)ACD/KOC (pH 7.4): 1908.72; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 74.21 cm³; (15)Molar Volume: 229.5 cm³; (16)Polarizability: 29.42×10^-24cm³; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.038 g/cm³; (19)Flash Point: 153.7 °C; (20)Enthalpy of Vaporization: 59.68 kJ/mol; (21)Boiling Point: 352 °C at 760 mmHg; (22)Vapour Pressure: 3.95E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CCc1ccccc1)CCc2ccccc2
(2)InChI: InChI=1/C17H18O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
(3)InChIKey: JENANTGGBLOTIB-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C17H18O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
(5)Std. InChIKey: JENANTGGBLOTIB-UHFFFAOYSA-N

Product Name

Diphenethyl ketone

1,5-Diphenyl-3-pentanone Specification

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