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| CAS No.: | 4919-34-0 |
|---|---|
| Name: | 3-(4-ETHOXYPHENYL)PROPIONIC ACID |
| Molecular Structure: | |
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| Formula: | C11H14O3 |
| Molecular Weight: | 194.23 |
| Synonyms: | Hydrocinnamicacid, p-ethoxy- (6CI,7CI,8CI);3-(4-Ethoxyphenyl)propanoic acid;3-(4-Ethoxyphenyl)propionic acid;4-Ethoxybenzenepropanoic acid;NSC 157580;p-Ethoxyhydrocinnamic acid; |
| Density: | 1.116 g/cm3 |
| Melting Point: | 102-104 °C |
| Boiling Point: | 331.6 °C at 760 mmHg |
| Flash Point: | 127.8 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 46.53000 |
| LogP: | 2.10250 |
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Specification
The CAS register number of Benzenepropanoic acid,4-ethoxy- is 4919-34-0. It also can be called as 4-Ethoxybenzenepropanoic acid and the IUPAC name about this chemical is 3-(4-ethoxyphenyl)propanoic acid. The molecular formula about this chemical is C11H14O3 and the molecular weight is 194.23. It belongs to the following product category which includes Aromatic Propionic Acids.
Physical properties about Benzenepropanoic acid,4-ethoxy- are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 1.44; (3)ACD/LogD (pH 7.4):; (4)ACD/BCF (pH 5.5): 4.57; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 59.36; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 53.31 cm3; (14)Molar Volume: 173.8 cm3; (15)Polarizability: 21.13x10-24cm3; (16)Surface Tension: 41.7 dyne/cm; (17)Density: 1.116 g/cm3; (18)Flash Point: 127.8 °C; (19)Enthalpy of Vaporization: 60.62 kJ/mol; (20)Boiling Point: 331.6 °C at 760 mmHg; (21)Vapour Pressure: 6.14E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCc1ccc(OCC)cc1
(2)InChI: InChI=1/C11H14O3/c1-2-14-10-6-3-9(4-7-10)5-8-11(12)13/h3-4,6-7H,2,5,8H2,1H3,(H,12,13)
(3)InChIKey: ZDSHOEQSCJOGCK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H14O3/c1-2-14-10-6-3-9(4-7-10)5-8-11(12)13/h3-4,6-7H,2,5,8H2,1H3,(H,12,13)
(5)Std. InChIKey: ZDSHOEQSCJOGCK-UHFFFAOYSA-N