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| CAS No.: | 6099-03-2 |
|---|---|
| Name: | 2-Methoxycinnamic acid |
| Article Data: | 34 |
| Molecular Structure: | |
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| Formula: | C10H10O3 |
| Molecular Weight: | 178.188 |
| Synonyms: | Cinnamicacid, o-methoxy- (6CI,7CI,8CI);2-Methoxycinnamic acid;3-(2-Methoxyphenyl)acrylic acid;NCI 8135;NSC 638141;NSC 8135;o-Methoxycinnamic acid; |
| EINECS: | 228-047-4 |
| Density: | 1.195 g/cm3 |
| Melting Point: | 182-186 °C |
| Boiling Point: | 325.1 °C at 760 mmHg |
| Flash Point: | 130.3 °C |
| Appearance: | light yellow crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39-36 |
| PSA: | 46.53000 |
| LogP: | 1.79300 |
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Specification
This chemical is called 2-Methoxycinnamic acid, and it can also be named as 3-(2-Methoxyphenyl)acrylic acid. With the molecular formula of C10H10O3, its molecular weight is 178.19. The CAS registry number of this chemical is 6099-03-2, and its product categories are Aromatic Cinnamic Acids, Esters and Derivatives; C10; Carbonyl Compounds; Carboxylic Acids. In addition, this chemical is light yellow crystalline powder.
Other characteristics of the 2-Methoxycinnamic acid can be summarised as followings: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8 ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.83; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 50.38 cm3; (14)Molar Volume: 149 cm3; (15)Polarizability: 19.97×10-24cm3; (16)Surface Tension: 46.2 dyne/cm; (17)Density: 1.195 g/cm3; (18)Flash Point: 130.3 °C; (19)Enthalpy of Vaporization: 59.87 kJ/mol; (20)Boiling Point: 325.1 °C at 760 mmHg; (21)Vapour Pressure: 9.64E-05 mmHg at 25°C.
Production method of this chemical: The 2-Methoxycinnamic acid could be obtained by the reactants of 2-methoxy-benzaldehyde and 2-methoxy-benzaldehyde. This reaction needs the reagent of pyridine. The yield is 85 %. In addition, this reaction needs the steam-bath.
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Uses of this chemical: The 2-Methoxycinnamic acid could react with (S)-2-methyl-butan-1-ol, and obtain the (+)-2-methylbutyl 3-(2-methoxyphenyl)propenoate. This reaction needs the reagent of cation exchange resin (Dowex 50 W*8), and the solvent of benzene. The yield is 55 %. In addition, this reaction should be taken for 48 hours.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)\C=C\c1ccccc1OC
2.InChI: InChI=1/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
3.InChIKey: FEGVSPGUHMGGBO-VOTSOKGWBH