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3654-49-7

Basic Information
CAS No.: 3654-49-7
Name: 1,5-Bis-(4-hydroxyphenyl)-1,4-pentadien-3-one
Article Data: 41
Molecular Structure:
Molecular Structure of 3654-49-7 (1,5-Bis-(4-hydroxyphenyl)-1,4-pentadien-3-one)
Formula: C17H14O3
Molecular Weight: 266.296
Synonyms: 1,4-Pentadien-3-one,1,5-bis(p-hydroxyphenyl)- (7CI,8CI);1,3-Bis(4-hydroxybenzylidene)acetone;1,3-Bis(p-hydroxybenzylidene)acetone;
EINECS: 222-896-4
Density: 1.27 g/cm3
Melting Point: 237-238 °C
Boiling Point: 492.7 °C at 760 mmHg
Flash Point: 265.8 °C
Appearance: Yellow powder
PSA: 57.53000
LogP: 3.39350
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Chemistry

IUPAC Name: (1E,4E)-1,5-bis(4-hydroxyphenyl)penta-1,4-dien-3-one 
Empirical Formula: C17H14O3
Molecular Weight: 266.2913g/mol
EINECS: 222-896-4
Structure of 1,4-Pentadien-3-one,1,5-bis(4-hydroxyphenyl)- (CAS NO.3654-49-7):

Index of Refraction: 1.703
Molar Refractivity: 81.39 cm3
Molar Volume: 209.7 cm3
Polarizability: 32.26×10-24cm3
Surface Tension: 59.9 dyne/cm
Density: 1.269 g/cm3
Flash Point: 265.8 °C
Enthalpy of Vaporization: 78.85 kJ/mol
Boiling Point: 492.7 °C at 760 mmHg
Vapour Pressure: 2.49E-10 mmHg at 25°C 
Product Categories: Pharmaceutical Intermediates 
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C=CC2=CC=C(C=C2)O)O
Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)/C=C/C2=CC=C(C=C2)O)O
InChI: InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H/b11-5+,12-6+
InChIKey: FTEGUKWEUQPKIS-YDWXAUTNSA-N

Specification

  1,4-Pentadien-3-one,1,5-bis(4-hydroxyphenyl)- , its cas register number is 3654-49-7. It also can be called (1E,4E)-1,5-Bis(4-hydroxyphenyl)penta-1,4-dien-3-one ; 1,5-Bis(4-hydroxyphenyl)penta-1,4-dien-3-one ; Bis-1,5-(4-Hydroxyphenyl)-1,4-Pentadien-3-one .