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Basic Information
CAS No.: 22214-30-8
Name: 4-HYDROXYBENZALACETONE
Molecular Structure:
Molecular Structure of 22214-30-8 (4-HYDROXYBENZALACETONE)
Formula: C10H10O2
Molecular Weight: 162.188
Synonyms: 3-Buten-2-one,4-(4-hydroxyphenyl)-, (E)-;3-Buten-2-one, 4-(p-hydroxyphenyl)-, (E)- (8CI);(E)-4-(4-Hydroxyphenyl)-3-buten-2-one;4-(4-Hydroxyphenyl)-(3E)-buten-2-one;
Density: 1.138 g/cm3
Boiling Point: 318.1 °C at 760 mmHg
Flash Point: 134.8 °C
PSA: 37.30000
LogP: 1.99440
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Specification

The 3-Buten-2-one, 4-(4-hydroxyphenyl)-, (3E)-, with the CAS registry number 22214-30-8, is also known as (3E)-4-(4-Hydroxyphenyl)but-3-en-2-one. This chemical's molecular formula is C10H10O2 and molecular weight is 162.1852. What's more, its IUPAC name is (E)-4-(4-Hydroxyphenyl)but-3-en-2-one.

Physical properties about 3-Buten-2-one, 4-(4-hydroxyphenyl)-, (3E)- are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 48.68 cm3; (9)Molar Volume: 142.4 cm3; (10)Polarizability: 19.3×10-24 cm3; (11)Surface Tension: 45.5 dyne/cm; (12)Density: 1.138 g/cm3; (13)Flash Point: 134.8 °C; (14)Enthalpy of Vaporization: 58.19 kJ/mol; (15)Boiling Point: 318.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000198 mmHg at 25 °C.

Preparation of 3-Buten-2-one, 4-(4-hydroxyphenyl)-, (3E)-: this chemical is prepared by 4t-(4-Methoxy-phenyl)-but-3-en-2-one by heating. This reaction needs reagents C6H5SH; K2CO3; 1-Methyl-2-pyrrolidinone. The reaction time is 30 minutes. The yield is about 73 %.

The 3-Buten-2-one, 4-(4-hydroxyphenyl)-, (3E)- can be obtained by 4t-(4-Methoxy-phenyl)-but-3-en-2-one.

Uses of 3-Buten-2-one, 4-(4-hydroxyphenyl)-, (3E)-: it is used to produce other chemicals. For example, it is used to produce 1-Trimethylsilanyloxy-4-(3-trimethylsilanyloxy-buta-1, 3-dienyl)-benzene. The reaction needs reagent DBU and solvent CH2Cl2. The reaction time is 2 hours with reaction temperature of 40 °C. The yield is about 39 %.

3-Buten-2-one, 4-(4-hydroxyphenyl)-, (3E)- can react with Chloro-trimethyl-silane to get 1-Trimethylsilanyloxy-4-(3-trimethylsilanyloxy-buta-1, 3-dienyl)-benzene.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(/C=C/c1ccc(O)cc1)C
(2) InChI: InChI=1/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+
(3) InChIKey: OCNIKEFATSKIBE-NSCUHMNNBS