3-Buten-2-one,4-(3-methoxyphenyl)- supplier

Name
(3E)-4-(3-METHOXYPHENYL)BUT-3-EN-2-ONE
EINECS
CAS No. 20766-31-8
Article Data43
CAS DataBase
Density 1.048g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂O₂
Boiling Point 308.5 °C at 760 mmHg
Molecular Weight 176.215
Flash Point 140.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Buten-2-one,4-(m-methoxyphenyl)- (8CI);1-(3-Methoxyphenyl)but-1-en-3-one;3-Methoxybenzalacetone;4-(3-Methoxyphenyl)-3-buten-2-one;m-(Methoxybenzylidene)acetone;m-Methoxybenzalacetone;
PSA 26.30000
LogP 2.29740

3-Buten-2-one,4-(3-methoxyphenyl)- Specification

The 3-Buten-2-one,4-(3-methoxyphenyl)-, with CAS registry number 20766-31-8, has the systematic name of (3E)-4-(3-methoxyphenyl)but-3-en-2-one. And the chemical formula of this chemical is C₁₁H₁₂O₂. Its molecular weight is 176.2118.

Physical properties of 3-Buten-2-one,4-(3-methoxyphenyl)-: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.27; (6)ACD/BCF (pH 7.4): 25.27; (7)ACD/KOC (pH 5.5): 351.23; (8)ACD/KOC (pH 7.4): 351.23; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 53.48 cm³; (15)Molar Volume: 168 cm³; (16)Polarizability: 21.2×10^-24cm³; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.048 g/cm³; (19)Flash Point: 140.4 °C; (20)Enthalpy of Vaporization: 54.92 kJ/mol; (21)Boiling Point: 308.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000679 mmHg at 25°C.

Preparation: this chemical can be prepared by propan-2-one and 3-methoxy-benzaldehyde. The reaction will need reagent NaOH-solution.

Uses of 3-Buten-2-one,4-(3-methoxyphenyl)-: it can be used to produce 4-(3-methoxy-phenyl)-butan-2-one. This reaction will need reagent H₂.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C\c1cc(OC)ccc1)C
(2)InChI: InChI=1/C11H12O2/c1-9(12)6-7-10-4-3-5-11(8-10)13-2/h3-8H,1-2H3/b7-6+
(3)InChIKey: NGEZPLCPKXKLQQ-VOTSOKGWBL
(4)Std. InChI: InChI=1S/C11H12O2/c1-9(12)6-7-10-4-3-5-11(8-10)13-2/h3-8H,1-2H3/b7-6+
(5)Std. InChIKey: NGEZPLCPKXKLQQ-VOTSOKGWSA-N

Product Name

(3E)-4-(3-METHOXYPHENYL)BUT-3-EN-2-ONE

3-Buten-2-one,4-(3-methoxyphenyl)- Specification

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