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2-Hydroxycinnamic acid

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Name

2-Hydroxycinnamic acid

EINECS 210-386-4
CAS No. 583-17-5 Density 1.329 g/cm3
PSA 57.53000 LogP 1.49000
Solubility N/A Melting Point 217 °C (dec.)(lit.)
Formula C9H8O3 Boiling Point 348 °C at 760 mmHg
Molecular Weight 164.161 Flash Point 178.5 °C
Transport Information UN 2811 Appearance white crystal
Safety 26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 583-17-5 (2-HYDROXYCINNAMIC ACID) Hazard Symbols HarmfulXn
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

Article Data 15

2-Hydroxycinnamic acid 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.

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

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