1,3-Diphenyl-1-butanone supplier

Name
1,3-Diphenyl-1-butanone
EINECS
CAS No. 1533-20-6
Article Data152
CAS DataBase
Density 1.041 g/cm³
Solubility
Melting Point 70-72 °C
Formula C₁₆H₁₆O
Boiling Point 354.6 °C at 760 mmHg
Molecular Weight 224.302
Flash Point 152.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Butyrophenone,3-phenyl- (6CI,7CI,8CI);1,3-Diphenyl-1-butanone;1,3-Diphenyl-1-oxobutane;3-Phenylbutyrophenone;NSC 401995;b-Phenylpropyl phenyl ketone;
PSA 17.07000
LogP 4.06310

1,3-Diphenyl-1-butanone Specification

The 1,3-Diphenyl-1-butanone, with the CAS registry number 1533-20-6, is also known as 3-Phenylbutyrophenone. This chemical's molecular formula is C₁₆H₁₆O and molecular weight is 224.29764. Its IUPAC name is called 1,3-diphenylbutan-1-one. You should keep container tightly closed in a cool, dry and well-ventilated place.

Physical properties of 1,3-Diphenyl-1-butanone: (1)ACD/LogP: 4.18; (2)ACD/LogD (pH 5.5): 4.18; (3)ACD/LogD (pH 7.4): 4.18; (4)ACD/BCF (pH 5.5): 885.04; (5)ACD/BCF (pH 7.4): 885.04; (6)ACD/KOC (pH 5.5): 4477.52; (7)ACD/KOC (pH 7.4): 4477.52; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.563; (11)Molar Refractivity: 70.03 cm³; (12)Molar Volume: 215.4 cm³; (13)Surface Tension: 40.3 dyne/cm; (14)Density: 1.041 g/cm³; (15)Flash Point: 152.6 °C; (16)Enthalpy of Vaporization: 59.96 kJ/mol; (17)Boiling Point: 354.6 °C at 760 mmHg; (18)Vapour Pressure: 3.32E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-phenyl-ethanone. This reaction will need reagent aqueous H₃PO₄, phosphorus and KI.

Uses of 1,3-Diphenyl-1-butanone: it can be used to produce (Z)-acetyloxy-1,3-diphenyl-1-butene at temperature of 100 °C. This reaction will need reagent 4-toluenesulfonic acid. The yield is about 45%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2
(2)InChI: InChI=1S/C16H16O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
(3)InChIKey: GIVFXLVPKFXTCU-UHFFFAOYSA-N

Product Name

1,3-Diphenyl-1-butanone

1,3-Diphenyl-1-butanone Specification

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