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| CAS No.: | 4919-33-9 |
|---|---|
| Name: | 4-ETHOXYPHENYLACETIC ACID |
| Molecular Structure: | |
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| Formula: | C10H12O3 |
| Molecular Weight: | 180.203 |
| Synonyms: | Aceticacid, (p-ethoxyphenyl)- (6CI,7CI,8CI);(p-Ethoxyphenyl)acetic acid;4-Ethoxyphenylacetic acid; |
| EINECS: | 225-545-3 |
| Density: | 1.144 g/cm3 |
| Melting Point: | 87-90 °C |
| Boiling Point: | 318.5 °C at 760 mmHg |
| Flash Point: | 125.8 °C |
| Appearance: | white to beige crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26 |
| PSA: | 46.53000 |
| LogP: | 1.71240 |
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Specification
The Benzeneacetic acid,4-ethoxy-, with the CAS registry number 4919-33-9, is also known as (4-Ethoxyphenyl)acetic acid. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives. Its EINECS registry number is 225-545-3. This chemical's molecular formula is C10H12O3 and molecular weight is 180.2. What's more, its IUPAC name is called 2-(4-Ethoxyphenyl)acetic acid. It is white to beige crystalline powder
Physical properties about Benzeneacetic acid,4-ethoxy- are: (1) ACD/LogP: 1.95; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.87; (4) ACD/LogD (pH 7.4): -0.93; (5) ACD/BCF (pH 5.5): 1.5; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 22.91; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 3; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 35.53 Å2; (13) Index of Refraction: 1.53; (14) Molar Refractivity: 48.67 cm3; (15) Molar Volume: 157.3 cm3; (16) Surface Tension: 42.6 dyne/cm; (17) Density: 1.144 g/cm3; (18) Flash Point: 125.8 °C; (19) Enthalpy of Vaporization: 59.12 kJ/mol; (20) Boiling Point: 318.5 °C at 760 mmHg; (21) Vapour Pressure: 0.000151 mmHg at 25 °C; (22) Melting Point: 87-90 °C.
Uses of Benzeneacetic acid,4-ethoxy-: it is used to produce other chemicals. For example, it is used to produce 4-Benzyloxy-2-(4-ethoxy-benzyl)-7-methyl-1H-benzoimidazole. The reaction occurs at temperature of 120 - 130 °C. The yield is 72 %.
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When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health. It is harmful if swallowed. Therefore, you should wear suitable gloves and eye/face protection. In case of contacting with eyes, you should 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)Cc1ccc(OCC)cc1
(2) InChI: InChI=1/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
(3) InChIKey: ZVVWZNFSMIFGEP-UHFFFAOYAB