Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Ethoxy-3-methoxyphenylacetic acid |
EINECS | 204-372-7 |
CAS No. | 120-13-8 | Density | 1.159 g/cm3 |
PSA | 55.76000 | LogP | 1.72100 |
Solubility | N/A | Melting Point |
122-124 °C |
Formula | C11H14O4 | Boiling Point | 344.144 °C at 760 mmHg |
Molecular Weight | 210.23 | Flash Point | 132.005 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-Ethoxy-3-methoxyphenylacetic acid;Aceticacid, (4-ethoxy-3-methoxyphenyl)- (6CI,7CI,8CI);(4-Ethoxy-3-methoxyphenyl)acetic acid;2-(4-Ethoxy-3-methoxyphenyl)acetic acid;4-Ethoxy-3-methoxybenzeneacetic acid;NSC 62696; |
Article Data | 5 |
This chemical is called 4-Ethoxy-3-methoxyphenylacetic acid, and it can also be named as benzeneacetic acid, 4-ethoxy-3-methoxy-. With the molecular formula of C11H14O4, its molecular weight is 210.23. The CAS registry number of this chemical is 120-13-8, and its product categories are Aromatic Phenylacetic Acids and Derivatives.
Other characteristics of the 4-Ethoxy-3-methoxyphenylacetic acid can be summarised as followings: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): -1.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.54; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 55.35 cm3; (15)Molar Volume: 181.3 cm3; (16)Polarizability: 21.94×10-24cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.159 g/cm3; (19)Flash Point: 132 °C; (20)Enthalpy of Vaporization: 62.06 kJ/mol; (21)Boiling Point: 344.1 °C at 760 mmHg; (22)Vapour Pressure: 2.56E-05 mmHg at 25°C.
Uses of this chemical: The 4-Ethoxy-3-methoxyphenylacetic acid could react with formaldehyde, and obtain the 7-ethoxy-6-methoxyisochroman-3-one. This reaction needs the reagent of conc. HCl, and the solvent of acetic acid. The yield is 82 %.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. 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)Cc1cc(OC)c(OCC)cc1
2. InChI: InChI=1/C11H14O4/c1-3-15-9-5-4-8(7-11(12)13)6-10(9)14-2/h4-6H,3,7H2,1-2H3,(H,12,13)
3.InChIKey: XVNXRPVJRCYHEW-UHFFFAOYAN