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| CAS No.: | 770-39-8 |
|---|---|
| Name: | 4-Hydroxyphenylacetone |
| Molecular Structure: | |
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| Formula: | C9H10O2 |
| Molecular Weight: | 150.177 |
| Synonyms: | 2-Propanone,(p-hydroxyphenyl)- (6CI,7CI);2-Propanone, 1-(p-hydroxyphenyl)- (8CI);1-(4-Hydroxyphenyl)-2-propanone;1-(4-Hydroxyphenyl)acetone;1-(p-Hydroxyphenyl)-2-propanone;4-Acetonylphenol;4-Hydroxybenzyl methylketone;4-Hydroxyphenyl-2-propanone;p-Hydroxyphenyl-2-propanone;p-Hydroxyphenylacetone; |
| Density: | 1.118 g/cm3 |
| Melting Point: | 267 °C |
| Boiling Point: | 274.2 °C at 760 mmHg |
| Flash Point: | 114.5 °C |
| Appearance: | Yellow Oily |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 37.30000 |
| LogP: | 1.52370 |
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Specification
The CAS register number of 4-Hydroxyphenylacetone is 770-39-8. It also can be called as 2-Propanone,1-(4-hydroxyphenyl)- and the IUPAC name about this chemical is 1-(4-hydroxyphenyl)propan-2-one. The molecular formula about this chemical is C9H10O2 and the molecular weight is 150.18. It belongs to the Aromatic Ketones (substituted). This chemical is stable under normal temperature and pressure. If you want to store it, please keep container closed and store in a cool, dry place, you also need aviod contact with oxide, reducing agent and alkali.
Physical properties about 4-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: 26.3Å2; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 42.34 cm3; (14)Molar Volume: 134.3 cm3; (15)Polarizability: 16.78x10-24cm3; (16)Surface Tension: 42.9 dyne/cm; (17)Enthalpy of Vaporization: 53.32 kJ/mol; (18)Boiling Point: 274.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00327 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(4-hydroxyphenyl)-2-nitropropene. This reaction will need reagent sodium hypophosphite, catalyst Raney nickel and solvent ethanol, H2O. The reaction time is 2 hour(s) with reaction temperature of 40 - 60 ℃. The yield is about 56%.
Uses of 4-Hydroxyphenylacetone: it can be used to produce (3,5-dibromo-4-hydroxy-phenyl)-acetone at temperature of 0 ℃. This reaction will need reagent Br2, potassium acetate and solvent acetic acid with reaction time of 15 min. The yield is about 42%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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