CAS No.56578-35-9,2-PROPENAL, 3-(4-METHYLPHENYL)-,(2E) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56578-35-9
Name:	2-PROPENAL, 3-(4-METHYLPHENYL)-,(2E)
Article Data:	59

Formula:	C₁₀H₁₀O
Molecular Weight:	146.189
Synonyms:	(E)-3-(4-Methylphenyl)acrolein;(E)-4-Methylcinnamaldehyde;(E)-p-Methylcinnamaldehyde;trans-4-Methylcinnamaldehyde;trans-p-Methylcinnamaldehyde;4-methyl cinnamaldehyde;
Density:	1.015 g/cm³
Melting Point:	40-42oC
Boiling Point:	266.6 °C at 760 mmHg
Flash Point:	94.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/38-43
Safety:	26-36/37
PSA:	17.07000
LogP:	2.20710

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Specification

The CAS register number of 2-Propenal,3-(4-methylphenyl)-, (2E)- is 56578-35-9. It also can be called as (2E)-3-(4-Methylphenyl)acrylaldehyde and the systematic name about this chemical is (2E)-3-(4-methylphenyl)prop-2-enal. The molecular formula about this chemical is C₁₀H₁₀O and the molecular weight is 146.19.

Physical properties about 2-Propenal,3-(4-methylphenyl)-, (2E)- are: (1)ACD/LogP: 2.58; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 17.07Å²; (5)Index of Refraction: 1.568; (6)Molar Refractivity: 47.15 cm³; (7)Molar Volume: 144 cm³; (8)Polarizability: 18.69x10^-24cm³; (9)Surface Tension: 37.6 dyne/cm; (10)Flash Point: 94.3 °C; (11)Enthalpy of Vaporization: 50.46 kJ/mol; (12)Boiling Point: 266.6 °C at 760 mmHg; (13)Vapour Pressure: 0.00856 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-trimethylsilanyloxy-propene and 1-iodo-4-methyl-benzene. This reaction will need reagent palladium acetate, lithium chloride and solvent dimethylformamide. The reaction time is 7 hour(s) with reaction temperature of 110 °C. The yield is about 40%.

Uses of 2-Propenal,3-(4-methylphenyl)-, (2E)-: it can be used to produce 4-methyl-trans-cinnamaldehyde dimethyl ketal with methanol at heating. This reaction will need reagent trimethyl-o-formate, ammonium nitrate with reaction time of 1.5 hours. The yield is about 62%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/C=C/c1ccc(cc1)C
(2)InChI: InChI=1/C10H10O/c1-9-4-6-10(7-5-9)3-2-8-11/h2-8H,1H3/b3-2+
(3)InChIKey: DKOUYOVAEBQFHU-NSCUHMNNBT
(4)Std. InChI: InChI=1S/C10H10O/c1-9-4-6-10(7-5-9)3-2-8-11/h2-8H,1H3/b3-2+
(5)Std. InChIKey: DKOUYOVAEBQFHU-NSCUHMNNSA-N