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Benzeneacetic acid,4-hydroxy-a-methyl-

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Name

Benzeneacetic acid,4-hydroxy-a-methyl-

EINECS 213-352-7
CAS No. 938-96-5 Density 1.253 g/cm3
PSA 57.53000 LogP 1.58030
Solubility N/A Melting Point 131.6 °C
Formula C9H10O3 Boiling Point 328.3 °C at 760 mmHg
Molecular Weight 166.177 Flash Point 166.5 °C
Transport Information N/A Appearance white to slightly beige cryst. powder or chunks
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 938-96-5 (2-(4-HYDROXYPHENYL)PROPIONIC ACID) Hazard Symbols IrritantXi
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;

Article Data 18

Benzeneacetic acid,4-hydroxy-a-methyl- Synthetic route

942-54-1

2-(4-methoxyphenyl)propanoic acid

938-96-5

2-(4-Hydroxy-phenyl)-propionic acid

Conditions
ConditionsYield
With boron tribromide In dichloromethane at 20℃; for 2.5h;90%
With hydrogen bromide for 15h; Heating;
6420-90-2

2-(4-hydroxyphenyl)-1-phenylethan-1-one

938-96-5

2-(4-Hydroxy-phenyl)-propionic acid

Conditions
ConditionsYield
With sodium hydroxide In N-methyl-acetamide; methanol; hexane; water; ethyl acetate; toluene82.4%
156-38-7

4-hydroxyphenylacetate

938-96-5

2-(4-Hydroxy-phenyl)-propionic acid

Conditions
ConditionsYield
With sulfuric acid In methanol; silica gel; toluene80%
α-<4-methoxy-phenyl>-propionic acid

α-<4-methoxy-phenyl>-propionic acid

938-96-5

2-(4-Hydroxy-phenyl)-propionic acid

Conditions
ConditionsYield
With phosphorus; hydrogen iodide; iodine
hydrochloride of/the/ 4-amino-hydratropic acid

hydrochloride of/the/ 4-amino-hydratropic acid

938-96-5

2-(4-Hydroxy-phenyl)-propionic acid

Conditions
ConditionsYield
With potassium nitrite
21850-61-3

2-(4-hydroxyphenyl)propanenitrile

938-96-5

2-(4-Hydroxy-phenyl)-propionic acid

Conditions
ConditionsYield
With sodium hydroxide for 5h; Heating;
93453-79-3

1-(4-hydroxyphenyl)ethanol

938-96-5

2-(4-Hydroxy-phenyl)-propionic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: dimethylformamide / 6 h / 130 °C
2: aq. NaOH / 5 h / Heating
View Scheme
100-06-1

1-(4-methoxyphenyl)ethanone

938-96-5

2-(4-Hydroxy-phenyl)-propionic acid

Conditions
ConditionsYield
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
99-93-4

4-Hydroxyacetophenone

ethynylmagnesium halide

ethynylmagnesium halide

938-96-5

2-(4-Hydroxy-phenyl)-propionic acid

Conditions
ConditionsYield
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
124-38-9

carbon dioxide

14140-15-9

4-(2-bromoethyl)phenol

A

938-96-5

2-(4-Hydroxy-phenyl)-propionic acid

B

501-97-3

4-hydroxyphenylpropionic acid

Conditions
ConditionsYield
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;

Benzeneacetic acid,4-hydroxy-a-methyl- Specification

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%.

Benzeneacetic acid,4-hydroxy-a-methyl- can be used to produce 4-hydroxy-3,5-diiodo-a-methylphenylacetic acid

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

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