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6052-64-8

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Basic Information
CAS No.: 6052-64-8
Name: 1,1,4-triphenylbut-3-en-1-ol
Article Data: 6
Molecular Structure:
Molecular Structure of 6052-64-8 (1,1,4-triphenylbut-3-en-1-ol)
Formula: C22H20O
Molecular Weight: 300.4
Synonyms: Benzhydrol,a-cinnamyl-;NSC 225815;NSC 263507;
Density: 1.116 g/cm3
Boiling Point: 492.8 °C at 760 mmHg
Flash Point: 193.4 °C
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  • 3-Buten-1-ol,1,1,4-triphenyl- (6CI,8CI) cas 6052-64-8

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    3-Buten-1-ol,1,1,4-triphenyl- (6CI,8CI) cas 6052-64-8

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    3-Buten-1-ol,1,1,4-triphenyl- (6CI,8CI) cas 6052-64-8Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 3-Buten-1-ol, 1, 1, 4-triphenyl- (6CI, 8CI), with the CAS registry number 6052-64-8, is also known as Benzhydrol, a-cinnamyl-. This chemical's molecular formula is C22H20O and molecular weight is 300.3936. What's more, its IUPAC name is 1, 1, 4-Triphenylbut-3-en-1-ol.

Physical properties about 3-Buten-1-ol, 1, 1, 4-triphenyl- (6CI, 8CI) are: (1)ACD/LogP: 5.54; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.638; (8)Molar Refractivity: 96.76 cm3; (9)Molar Volume: 269 cm3; (10)Polarizability: 38.36×10-24 cm3; (11)Surface Tension: 47.1 dyne/cm; (12)Density: 1.116 g/cm3; (13)Flash Point: 193.4 °C; (14)Enthalpy of Vaporization: 80.02 kJ/mol; (15)Boiling Point: 492.8 °C at 760 mmHg; (16)Vapour Pressure: 1.58E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccccc1)(c2ccccc2)CC=Cc3ccccc3
(2) InChI: InChI=1/C22H20O/c23-22(20-14-6-2-7-15-20,21-16-8-3-9-17-21)18-10-13-19-11-4-1-5-12-19/h1-17,23H,18H2
(3) InChIKey: YQOIJZXJKOHXIH-UHFFFAOYAC