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| CAS No.: | 10538-51-9 |
|---|---|
| Name: | 2,5-Dimethoxycinnamic acid |
| Molecular Structure: | |
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| Formula: | C11H12O4 |
| Molecular Weight: | 208.214 |
| Synonyms: | Cinnamicacid, 2,5-dimethoxy- (6CI,7CI,8CI);3-(2,5-Dimethoxyphenyl)acrylic acid; |
| EINECS: | 234-114-9 |
| Density: | 1.203 g/cm3 |
| Melting Point: | 147-150 °C |
| Boiling Point: | 374.508 °C at 760 mmHg |
| Flash Point: | 147.278 °C |
| Appearance: | yellow powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 55.76000 |
| LogP: | 1.80160 |
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Specification
The 2,5-Dimethoxycinnamic Acid, with the CAS registry number 10538-51-9, is also known as 2-Propenoic acid,3-(2,5-dimethoxyphenyl)-. It belongs to the product categories of Fine Chemical & Intermediates; Aromatic Cinnamic Acids, Esters and Derivatives; Cinnamic Acid; Organic Acids; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; C11 to C12; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 234-114-9. This chemical's molecular formula is C11H12O4 and molecular weight is 208.21. What's more, its systematic name is called 3-(2,5-Dimethoxyphenyl)acrylic acid. It should be stored in a cool, dry and well-ventilated area away from incompatible substances.
Physical properties about 2,5-Dimethoxycinnamic Acid are: (1)ACD/LogP: 2.216; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): -0.71; (5)ACD/BCF (pH 5.5): 2.11; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 28.38; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.76 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 57.064 cm3; (15)Molar Volume: 173.039 cm3; (16)Polarizability: 22.622×10-24 cm3; (17)Surface Tension: 43.88 dyne/cm; (18)Density: 1.203 g/cm3; (19)Flash Point: 147.278 °C; (20)Enthalpy of Vaporization: 65.607 kJ/mol; (21)Boiling Point: 374.508 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Uses of 2,5-Dimethoxycinnamic Acid: (1) it is used as pharmaceutical intermediates; (2) it is used to produce other chemicals. For example, it can react with benzene-1,4-diol to get 4-(2,5-dimethoxy-phenyl)-6-hydroxy-chroman-2-one. This reaction needs reagents POCl3 and BF3*Et2O at temperature of 25-28 °C. The yield is 75 %.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable gloves and eye/face protection. In case of contacting with eyes, you should 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=Cc1cc(OC)ccc1OC
(2) InChI: InChI=1S/C11H12O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h3-7H,1-2H3,(H,12,13)
(3) InChIKey: JPQWWJZORKTMIZ-UHFFFAOYSA-N