Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(E)-3-(4-Methylphenyl)-2-propenal |
EINECS | N/A |
CAS No. | 56578-35-9 | Density | 1.015 g/cm3 |
PSA | 17.07000 | LogP | 2.20710 |
Solubility | N/A | Melting Point |
40-42oC |
Formula | C10H10O | Boiling Point | 266.6 °C at 760 mmHg |
Molecular Weight | 146.189 | Flash Point | 94.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37 | Risk Codes | 36/38-43 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(E)-3-(4-Methylphenyl)acrolein;(E)-4-Methylcinnamaldehyde;(E)-p-Methylcinnamaldehyde;trans-4-Methylcinnamaldehyde;trans-p-Methylcinnamaldehyde;4-methyl cinnamaldehyde; |
Article Data | 59 |
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