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| CAS No.: | 583-17-5 |
|---|---|
| Name: | 2-HYDROXYCINNAMIC ACID |
| Molecular Structure: | |
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| Formula: | C9H8O3 |
| Molecular Weight: | 164.161 |
| Synonyms: | COUMARIC ACID,2-;TRANS-O-COUMARIC ACID;TRANS-O-CUMARIC ACID;TRANS-O-HYDROXYCINNAMIC ACID;TRANS-2-COUMARIC ACID;O-COUMARIC ACID;O-HYDROXYCINNAMIC ACID;O-CUMARIC ACID |
| EINECS: | 210-386-4 |
| Density: | 1.329 g/cm3 |
| Melting Point: | 217 °C (dec.)(lit.) |
| Boiling Point: | 348 °C at 760 mmHg |
| Flash Point: | 178.5 °C |
| Appearance: | white crystal |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26 |
| Transport Information: | UN 2811 |
| PSA: | 57.53000 |
| LogP: | 1.49000 |
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- Total:24 Page 1 of 1 1
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Specification
This chemical is called 2-Hydroxycinnamic acid, and it can also be named as 3-(2-hydroxyphenyl)prop-2-enoic acid. With the molecular formula of C9H8O3, its molecular weight is 164.16. The CAS registry number of this chemical is 583-17-5. Additionally, its product category is Organic acids.
Other characteristics of the 2-Hydroxycinnamic acid can be summarised as followings: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): -1.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.75; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 45.58 cm3; (15)Molar Volume: 123.4 cm3; (16)Polarizability: 18.07×10-24cm3; (17)Surface Tension: 62.4 dyne/cm; (18)Density: 1.329 g/cm3; (19)Flash Point: 178.5 °C; (20)Enthalpy of Vaporization: 62.52 kJ/mol; (21)Boiling Point: 348 °C at 760 mmHg; (22)Vapour Pressure: 1.94E-05 mmHg at 25°C.
Uses of this chemical: The 2-hydroxy-benzaldehyde could be obtained by the reactant of 2-Hydroxycinnamic acid. This reaction needs the reagent of KMnO4/alumina, and the solvent of CH2Cl2. The yield is 85 %. This reaction should be taken at the temperature of 20 °C.
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When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed and irritating to eyes, respiratory system and skin. 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=Cc1ccccc1O
2.InChI: InChI=1/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)
3.InChIKey: PMOWTIHVNWZYFI-UHFFFAOYAM