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| CAS No.: | 20811-60-3 |
|---|---|
| Name: | 3-(4-METHOXYPHENOXY)PROPANOIC ACID |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C10H12O4 |
| Molecular Weight: | 196.203 |
| Synonyms: | Propionic acid,3-(p-methoxyphenoxy)- (6CI,7CI,8CI);3-(4-Methoxyphenoxy)propionic acid;NSC153948; |
| Density: | 1.188 g/cm3 |
| Melting Point: | 110.5 °C |
| Boiling Point: | 321.7 °C at 760 mmHg |
| Flash Point: | 125.6 °C |
| PSA: | 55.76000 |
| LogP: | 1.54870 |
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- Total:22 Page 1 of 1 1
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Specification
The Propanoic acid,3-(4-methoxyphenoxy)-, with the CAS registry number 20811-60-3, is also known as 3-(p-Methoxyphenoxy)propionic acid. This chemical's molecular formula is C10H12O4 and molecular weight is 196.2. What's more, its systematic name and its IUPAC name are the same which is called 3-(4-Methoxyphenoxy)propanoic acid.
Physical properties about Propanoic acid,3-(4-methoxyphenoxy)- are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.32; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 44.76 Å2; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 50.44 cm3; (14)Molar Volume: 165 cm3; (15)Surface Tension: 42.6 dyne/cm; (16)Density: 1.188 g/cm3; (17)Flash Point: 125.6 °C; (18)Enthalpy of Vaporization: 59.49 kJ/mol; (19)Boiling Point: 321.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000121 mmHg at 25 °C.
Preparation of Propanoic acid,3-(4-methoxyphenoxy)-: this chemical is prepared by reaction of 3-(4-Methoxy-phenoxy)-propionitrile with reagent Concentrated hydrochloric acid.
This reaction requires heating for 6 hours. The yield is 65 %.
Uses of Propanoic acid,3-(4-methoxyphenoxy)-: it is used to produce other chemicals. For example, it is used to produce 6-Methoxy-chroman-4-one.
The reaction occurs with reagent P2O5 and 85 percent H3PO4 at temperature of 100 °C for 1 hour. The yield is 82 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCOc1ccc(OC)cc1
(2) InChI: InChI=1/C10H12O4/c1-13-8-2-4-9(5-3-8)14-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
(3) InChIKey: SGTCAUQLJIKBMM-UHFFFAOYAT