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CAS No.: | 13100-05-5 |
---|---|
Name: | O-hydroxyphenyl acetone |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C9H10O2 |
Molecular Weight: | 150.177 |
Synonyms: | (2-HYDROXYPHENYL)ACETONE; |
Density: | 1.118 g/cm3 |
Melting Point: | 15 °C |
Boiling Point: | 274.2 °C at 760 mmHg |
Flash Point: | 114.5 °C |
PSA: | 37.30000 |
LogP: | 1.52370 |
(E)-2-(2-nitroprop-1-en-1-yl) phenol
1-(2-hydroxyphenyl)propan-2-one
Conditions | Yield |
---|---|
With sodium hypophosphite; nickel In ethanol; water at 40 - 60℃; for 2h; | 70% |
2-(bromomethyl)phenyl acetate
1-(2-hydroxyphenyl)propan-2-one
Conditions | Yield |
---|---|
With chromium dichloride In tetrahydrofuran Heating; | 65% |
With chromium dichloride; water; ammonium chloride 1.) THF, reflux, 5 h; 2.) ether/THF; Yield given. Multistep reaction; |
3-acetylbenzofuran-2-ylacetic acid
1-(2-hydroxyphenyl)propan-2-one
Conditions | Yield |
---|---|
With sodium hydroxide In water at 90℃; for 2h; | 58% |
2-methylphenyl acetate
1-(2-hydroxyphenyl)propan-2-one
Conditions | Yield |
---|---|
57% |
(E)-2-propenylphenol
1-(2-hydroxyphenyl)propan-2-one
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; bis(acetylacetonate)oxovanadium In dichloromethane at 40℃; for 2h; | 56% |
With tert.-butylhydroperoxide; bis(acetylacetonate)oxovanadium | |
Multi-step reaction with 2 steps 1: 2) m-chloroperbenzoic acid / 1) O-acetylation 2: 2 N Na2CO3 / Heating View Scheme |
2-(prop-1-enyl)phenol
1-(2-hydroxyphenyl)propan-2-one
Conditions | Yield |
---|---|
With peracetic acid; diethyl ether | |
With peracetic acid; ethyl acetate |
1-(2-hydroxyphenyl)propan-2-one
Conditions | Yield |
---|---|
at 230℃; ohne Loesungsmittel; |
peracetic acid
(E)-2-propenylphenol
ethyl acetate
1-(2-hydroxyphenyl)propan-2-one
1-(2-hydroxyphenyl)propan-2-one
Conditions | Yield |
---|---|
With sodium carbonate Heating; |
1-(2-methoxyphenyl)propan-2-one
1-(2-hydroxyphenyl)propan-2-one
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; sodium iodide Yield given; |
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The 2'-Hydroxyphenylacetone is an organic compound with the formula C9H10O2. The systematic name of this chemical is 1-(4-hydroxyphenyl)propan-2-one. With the CAS registry number 13100-05-5, it is also named as 1-(4-Hydroxyphenyl)acetone.
Physical properties about 2'-Hydroxyphenylacetone are: (1)ACD/LogP: 0.70; (2)ACD/LogD (pH 5.5): 0.7; (3)ACD/LogD (pH 7.4): 0.7; (4)ACD/BCF (pH 5.5): 2.01; (5)ACD/BCF (pH 7.4): 2.01; (6)ACD/KOC (pH 5.5): 57.44; (7)ACD/KOC (pH 7.4): 57.25; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 42.34 cm3; (14)Molar Volume: 134.3 cm3; (15)Polarizability: 16.78×10-24cm3; (16)Surface Tension: 42.9 dyne/cm; (17)Density: 1.118 g/cm3; (18)Flash Point: 114.5 °C; (19)Enthalpy of Vaporization: 53.32 kJ/mol; (20)Boiling Point: 274.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00327 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cc1ccc(O)cc1)C
(2)InChI: InChI=1/C9H10O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,11H,6H2,1H3
(3)InChIKey: VWMVAQHMFFZQGD-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H10O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,11H,6H2,1H3
(5)Std. InChIKey: VWMVAQHMFFZQGD-UHFFFAOYSA-N