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| CAS No.: | 832-01-9 |
|---|---|
| Name: | METHYL 4-METHOXYCINNAMATE |
| Article Data: | 181 |
| Molecular Structure: | |
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| Formula: | C11H12O3 |
| Molecular Weight: | 192.214 |
| Synonyms: | Cinnamicacid, p-methoxy-, methyl ester (6CI,7CI,8CI);3-(4-Methoxyphenyl)-2-propenoicacid methyl ester;Methyl 3-(4-methoxyphenyl)-2-propenoate;Methyl3-(4-methoxyphenyl)acrylate;Methylp-methoxycinnamate;NSC 26461;3-(4-Methoxyphenyl)-2-propenoic acid methyl ester;Cinnamic acid, p-methoxy-, methyl ester (8CI); |
| EINECS: | 212-614-8 |
| Density: | 1.102 g/cm3 |
| Melting Point: | 89-90 °C |
| Boiling Point: | 310.6 °C at 760 mmHg |
| Flash Point: | 126.9 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 35.53000 |
| LogP: | 1.88140 |
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Specification
The 2-Propenoic acid,3-(4-methoxyphenyl)-, methyl ester, with the CAS registry number 832-01-9 and EINECS registry number 212-614-8, has the systematic name of methyl (2E)-3-(4-methoxyphenyl)prop-2-enoate. It belongs to the product category of Aromatic Esters. And the molecular formula of the chemical is C11H12O3.
The characteristics of 2-Propenoic acid,3-(4-methoxyphenyl)-, methyl ester are as followings: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.14; (6)ACD/BCF (pH 7.4): 24.14; (7)ACD/KOC (pH 5.5): 339.9; (8)ACD/KOC (pH 7.4): 339.9; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 55.22 cm3; (15)Molar Volume: 174.4 cm3; (16)Polarizability: 21.89×10-24cm3; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.102 g/cm3; (19)Flash Point: 126.9 °C; (20)Enthalpy of Vaporization: 55.15 kJ/mol; (21)Boiling Point: 310.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000594 mmHg at 25°C.
Uses of 2-Propenoic acid,3-(4-methoxyphenyl)-, methyl ester: It can react with Potassium methyl malonate to produce dihydro-5-(4-methoxyphenyl)-3,4-di(carboxymethyl)-2(3H)-furanone. This reaction will need reagent manganese(III) acetate hydrate, and the menstruum acetic acid. The reaction time is 15 minutes with temperature of 70°C, and the yield is about 63%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)\C=C\c1ccc(OC)cc1
(2)InChI: InChI=1/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5+
(3)InChIKey: VEZIKIAGFYZTCI-VMPITWQZBX