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2'-Hydroxyphenylacetone

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Name

2'-Hydroxyphenylacetone

EINECS N/A
CAS No. 13100-05-5 Density 1.118 g/cm3
PSA 37.30000 LogP 1.52370
Solubility N/A Melting Point 15 °C
Formula C9H10O2 Boiling Point 274.2 °C at 760 mmHg
Molecular Weight 150.177 Flash Point 114.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13100-05-5 (O-hydroxyphenyl acetone) Hazard Symbols N/A
Synonyms

(2-HYDROXYPHENYL)ACETONE;

Article Data 17

2'-Hydroxyphenylacetone Synthetic route

86029-73-4

(E)-2-(2-nitroprop-1-en-1-yl) phenol

13100-05-5

1-(2-hydroxyphenyl)propan-2-one

Conditions
ConditionsYield
With sodium hypophosphite; nickel In ethanol; water at 40 - 60℃; for 2h;70%
704-65-4

2-(bromomethyl)phenyl acetate

13100-05-5

1-(2-hydroxyphenyl)propan-2-one

Conditions
ConditionsYield
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;
93680-68-3

3-acetylbenzofuran-2-ylacetic acid

13100-05-5

1-(2-hydroxyphenyl)propan-2-one

Conditions
ConditionsYield
With sodium hydroxide In water at 90℃; for 2h;58%
533-18-6

2-methylphenyl acetate

13100-05-5

1-(2-hydroxyphenyl)propan-2-one

Conditions
ConditionsYield
57%
23619-59-2

(E)-2-propenylphenol

13100-05-5

1-(2-hydroxyphenyl)propan-2-one

Conditions
ConditionsYield
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
6380-21-8

2-(prop-1-enyl)phenol

13100-05-5

1-(2-hydroxyphenyl)propan-2-one

Conditions
ConditionsYield
With peracetic acid; diethyl ether
With peracetic acid; ethyl acetate

1-acetoxy-1-(2-hydroxy-phenyl)-propan-2-ol

13100-05-5

1-(2-hydroxyphenyl)propan-2-one

Conditions
ConditionsYield
at 230℃; ohne Loesungsmittel;
79-21-0

peracetic acid

23619-59-2

(E)-2-propenylphenol

141-78-6

ethyl acetate

13100-05-5

1-(2-hydroxyphenyl)propan-2-one

1-(2-Hydroxyphenyl)-2-methyloxiran

13100-05-5

1-(2-hydroxyphenyl)propan-2-one

Conditions
ConditionsYield
With sodium carbonate Heating;
5211-62-1

1-(2-methoxyphenyl)propan-2-one

13100-05-5

1-(2-hydroxyphenyl)propan-2-one

Conditions
ConditionsYield
With chloro-trimethyl-silane; sodium iodide Yield given;

2'-Hydroxyphenylacetone Specification

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

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