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| CAS No.: | 13794-15-5 |
|---|---|
| Name: | SODIUM 2-(4-METHOXYPHENOXY)PROPIONATE |
| Article Data: | 22 |
| Molecular Structure: | |
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|
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| Formula: | C10H12O4 |
| Molecular Weight: | 196.203 |
| Synonyms: | Propionic acid,2-(p-methoxyphenoxy)- (6CI,7CI,8CI);2-(4-Methoxyphenoxy)propionic acid;2-(p-Methoxyphenoxy)propionic acid;Lactisol;NSC 352144; |
| EINECS: | 604-052-0 |
| Density: | 1.185 g/cm3 |
| Melting Point: | 92-94 °C |
| Boiling Point: | 331.6 °C at 760 mmHg |
| Flash Point: | 130.3 °C |
| Solubility: | Soluble in water and propylene glycol, slightly soluble in fat |
| Appearance: | white to pale cream, crystalline solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 55.76000 |
| LogP: | 1.54710 |
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 111479-08-4, 958238-90-9
ethyl 2-(4-methoxyphenoxy)propanoate
- 13794-15-5
2-(4-methoxyphenoxy)propanoic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol; water at 0℃; for 4h; | 99% |
| Stage #1: ethyl 2-(4-methoxyphenoxy)propanoate With water; potassium hydroxide In ethanol for 0.75h; Reflux; Stage #2: With hydrogenchloride In water | 92% |
| Stage #1: ethyl 2-(4-methoxyphenoxy)propanoate With sodium hydroxide In methanol; water at 20℃; for 12h; Stage #2: With hydrogenchloride In water | 89% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol at 80℃; for 24h; | 81% |
| With sodium hydroxide for 1h; Heating; | 77% |
| With sodium hydroxide |
- 17639-93-9
2-chloro-propionic acid methyl ester
- 150-76-5
4-methoxy-phenol
- 13794-15-5
2-(4-methoxyphenoxy)propanoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide | 79% |
| With water; potassium iodide; sodium hydroxide at 60 - 90℃; for 12h; Reagent/catalyst; Temperature; Large scale; | 14.28 kg |
- 69033-92-7
2-(4-Methoxyphenoxy)propionsaeuremethylester
- 13794-15-5
2-(4-methoxyphenoxy)propanoic acid
| Conditions | Yield |
|---|---|
| With water; lithium hydroxide In tetrahydrofuran |
- 13794-15-5
2-(4-methoxyphenoxy)propanoic acid
| Conditions | Yield |
|---|---|
| With phosphoric acid | 82% |
- 150-76-5
4-methoxy-phenol
- 13794-15-5
2-(4-methoxyphenoxy)propanoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 88 percent / sodium hydride / tetrahydrofuran / 14 h / 20 °C 2: 99 percent / potassium hydroxide / ethanol; H2O / 4 h / 0 °C View Scheme | |
| Multi-step reaction with 2 steps 1: NaH / hexamethylphosphoric acid triamide; tetrahydrofuran / 60 °C 2: 82 percent / 85percent H3PO4 View Scheme | |
| Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 5 h / 20 °C / Inert atmosphere 2: water; sodium hydroxide / tetrahydrofuran / 3 h / 80 °C / Inert atmosphere View Scheme |
- 150-76-5
4-methoxy-phenol
- 598-78-7
(R,S)-2-chloropropionic acid
- 13794-15-5
2-(4-methoxyphenoxy)propanoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water for 20h; Heating; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium carbonate / acetone / 10 h / Heating 2: 10 percent sodium hydroxide / H2O / Heating View Scheme |
- 150-76-5
4-methoxy-phenol
- 535-11-5, 41978-69-2
Ethyl 2-bromopropionate
- 13794-15-5
2-(4-methoxyphenoxy)propanoic acid
- 13794-15-5
2-(4-methoxyphenoxy)propanoic acid
- 92818-05-8
2-(4'-methoxyphenoxy)propanoic acid chloride
| Conditions | Yield |
|---|---|
| With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 6h; Inert atmosphere; | 99% |
| With thionyl chloride In N,N-dimethyl-formamide for 1h; Heating; | 69% |
| With thionyl chloride at 90℃; for 1.5h; | |
| With oxalyl dichloride; N-methyl-N-phenylformamide In dichloromethane at 20℃; for 5h; | |
| With thionyl chloride at 74℃; for 2h; Inert atmosphere; |
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Specification
The CAS registry number of Propanoic acid,2-(4-methoxyphenoxy)- is 13794-15-5. This chemical is also named as (±)-2-(p-Methoxyphenoxy)propionic acid. In addition, its molecular formula is C10H12O4 and molecular weight is 196.2. Its systematic name and IUPAC name are the same which is called 2-(4-methoxyphenoxy)propanoic acid.
Physical properties about Propanoic acid,2-(4-methoxyphenoxy)- are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): -1.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.19; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 50.39 cm3; (14)Molar Volume: 165.4 cm3; (15)Surface Tension: 41.2 dyne/cm; (16)Density: 1.185 g/cm3; (17)Flash Point: 130.3 °C; (18)Enthalpy of Vaporization: 60.62 kJ/mol; (19)Boiling Point: 331.6 °C at 760 mmHg.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(Oc1ccc(OC)cc1)C
(2)InChI: InChI=1/C10H12O4/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3,(H,11,12)
(3)InChIKey: MIEKOFWWHVOKQX-UHFFFAOYAV