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| CAS No.: | 69038-81-9 |
|---|---|
| Name: | 2-Ethoxycinnamic acid |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H12O3 |
| Molecular Weight: | 192.214 |
| Synonyms: | Cinnamicacid, o-ethoxy- (6CI,7CI);2-Propenoic acid,3-(2-ethoxyphenyl)-, (2E)-;NSC 98551;(2E)-3-(2-Ethoxyphenyl)acrylic acid;3-(2-Ethoxyphenyl)-2-propenoic acid;3-(2-Ethoxyphenyl)acrylic acid; |
| Density: | 1.161 g/cm3 |
| Melting Point: | 134-138 °C(lit.) |
| Boiling Point: | 337.161 °C at 760 mmHg |
| Flash Point: | 131.71 °C |
| Appearance: | WHITE TO OFF-WHITE SOLID, POWDER OR CRYSTALS |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 46.53000 |
| LogP: | 2.18310 |
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- Total:27 Page 1 of 1 1
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Specification
The 2-Ethoxycinnamic acid, with the CAS registry number 69061-17-2, is also known as 3-(2-Ethoxyphenyl)-2-propenoic acid. It belongs to the product categories of Aromatic Cinnamic Acids, Esters and Derivatives; C11 to C12; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C11H12O3 and formula weight is 192.21. What's more, its IUPAC name is (E)-3-(2-ethoxyphenyl)prop-2-enoic acid. It should be sealed and stored in cool and dry place and be protected from strong oxidizer.
Physical properties of 2-Ethoxycinnamic acid are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34 ; (4)ACD/BCF (pH 5.5): 2.52; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 23.5; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 55.01 cm3; (13)Molar Volume: 165.5 cm3; (14)Surface Tension: 44.8 dyne/cm; (15)Density: 1.161 g/cm3; (16)Flash Point: 131.7 °C; (17)Enthalpy of Vaporization: 61.26 kJ/mol; (18)Boiling Point: 337.2 °C at 760 mmHg; (19)Vapour Pressure: 4.18E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you must wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC1=CC=CC=C1C=CC(=O)O
(2)Isomeric SMILES: CCOC1=CC=CC=C1/C=C/C(=O)O
(3)InChI: InChI=1S/C11H12O3/c1-2-14-10-6-4-3-5-9(10)7-8-11(12)13/h3-8H,2H2,1H3,(H,12,13)/b8-7+
(4)InChIKey: UXTDCJJEJZCEBF-BQYQJAHWSA-N