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CAS No.: | 938-96-5 |
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Name: | 2-(4-HYDROXYPHENYL)PROPIONIC ACID |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | Hydratropicacid, p-hydroxy- (6CI,7CI,8CI);2-(4-Hydroxyphenyl)propanoic acid;2-(4-Hydroxyphenyl)propionic acid;2-(p-Hydroxyphenyl)-propionic acid;Methyl4-hydroxyphenylacetic acid; |
EINECS: | 213-352-7 |
Density: | 1.253 g/cm3 |
Melting Point: | 131.6 °C |
Boiling Point: | 328.3 °C at 760 mmHg |
Flash Point: | 166.5 °C |
Appearance: | white to slightly beige cryst. powder or chunks |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
PSA: | 57.53000 |
LogP: | 1.58030 |
Conditions | Yield |
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With boron tribromide In dichloromethane at 20℃; for 2.5h; | 90% |
With hydrogen bromide for 15h; Heating; |
Conditions | Yield |
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With sodium hydroxide In N-methyl-acetamide; methanol; hexane; water; ethyl acetate; toluene | 82.4% |
Conditions | Yield |
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With sulfuric acid In methanol; silica gel; toluene | 80% |
2-(4-Hydroxy-phenyl)-propionic acid
Conditions | Yield |
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With phosphorus; hydrogen iodide; iodine |
2-(4-Hydroxy-phenyl)-propionic acid
Conditions | Yield |
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With potassium nitrite |
2-(4-hydroxyphenyl)propanenitrile
2-(4-Hydroxy-phenyl)-propionic acid
Conditions | Yield |
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With sodium hydroxide for 5h; Heating; |
1-(4-hydroxyphenyl)ethanol
2-(4-Hydroxy-phenyl)-propionic acid
Conditions | Yield |
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Multi-step reaction with 2 steps 1: dimethylformamide / 6 h / 130 °C 2: aq. NaOH / 5 h / Heating View Scheme |
Conditions | Yield |
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Multi-step reaction with 4 steps 1: aq. HBr; acetic acid / Heating 2: KBH4; KOH / methanol / Heating 3: dimethylformamide / 6 h / 130 °C 4: aq. NaOH / 5 h / Heating View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: KBH4; KOH / methanol / Heating 2: dimethylformamide / 6 h / 130 °C 3: aq. NaOH / 5 h / Heating View Scheme |
carbon dioxide
4-(2-bromoethyl)phenol
A
2-(4-Hydroxy-phenyl)-propionic acid
B
4-hydroxyphenylpropionic acid
Conditions | Yield |
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With neocuproine; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; potassium carbonate In N,N-dimethyl-formamide at 25℃; under 750.075 Torr; Irradiation; Overall yield = 70 %; Overall yield = 23.1 mg; |
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The Benzeneacetic acid,4-hydroxy-a-methyl-, with the CAS registry number 938-96-5, is also known as 4-Hydroxyhydratropate. It belongs to the product category of Aromatic Propionic Acids. Its EINECS registry number is 213-352-7. This chemical's molecular formula is C9H10O3 and molecular weight is 166.1739. Its IUPAC name is called 2-(4-hydroxyphenyl)propanoic acid. The product should be sealed and stored in cool and dry place. What's more, it should be protected from strong oxides.
Physical properties of Benzeneacetic acid,4-hydroxy-a-methyl-: (1)ACD/LogP: 1.12; (2)ACD/LogD (pH 5.5): 0.07; (3)ACD/LogD (pH 7.4): -1.74; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.59; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 43.88 cm3; (13)Molar Volume: 132.5 cm3; (14)Surface Tension: 53.8 dyne/cm; (15)Density: 1.253 g/cm3; (16)Flash Point: 166.5 °C; (17)Enthalpy of Vaporization: 60.24 kJ/mol; (18)Boiling Point: 328.3 °C at 760 mmHg; (19)Vapour Pressure: 7.73E-05 mmHg at 25°C.
Uses of Benzeneacetic acid,4-hydroxy-a-methyl-: it can be used to produce 4-hydroxy-3,5-diiodo-a-methylphenylacetic acid. This reaction will need reagent I2 and KI. The yield is about 88%.
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 gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C1=CC=C(C=C1)O)C(=O)O
(2)InChI: InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)
(3)InChIKey: ZHMMPVANGNPCBW-UHFFFAOYSA-N