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| CAS No.: | 582-24-1 |
|---|---|
| Name: | 2-Hydroxyacetophenone |
| Article Data: | 393 |
| Molecular Structure: | |
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| Formula: | C8H8O2 |
| Molecular Weight: | 136.15 |
| Synonyms: | Acetophenone,2-hydroxy- (8CI);Acetophenone, a-hydroxy- (3CI);(Hydroxyacetyl)benzene;2-Hydroxy-1-phenylethanone;Ethanone,2-hydroxy-1-phenyl-;2-Phenyl-2-oxoethanol;Benzoylcarbinol;Benzoylmethanol;Glycolophenone;Methanol, benzoyl-;NSC 171232;Phenacyl alcohol;a-Hydroxyacetophenone;w-Hydroxyacetophenone; |
| EINECS: | 209-480-8 |
| Density: | 1.149 g/cm3 |
| Melting Point: | 86-89 °C(lit.) |
| Boiling Point: | 244.615 °C at 760 mmHg |
| Flash Point: | 100.368 °C |
| Solubility: | Soluble in water, ether, ethanol, chloroform. |
| Appearance: | slightly yellow to orange powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 37.30000 |
| LogP: | 0.86160 |
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Specification
The 2-Hydroxyacetophenone, with the CAS registry number 582-24-1, is also known as 2-Phenyl-2-oxoethanol. It belongs to the product categories of C7 to C8; Carbonyl Compounds; Ketones. Its EINECS number is 209-480-8. This chemical's molecular formula is C8H8O2 and molecular weight is 136.15. What's more, its systematic name is 2-Hydroxy-1-phenylethanone. The product should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. Moreover, it should be protected from oxides, anhydride, water and moisture.
Physical properties of 2-Hydroxyacetophenone are: (1)ACD/LogP: 0.721; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 2.08; (6)ACD/BCF (pH 7.4): 2.08; (7)ACD/KOC (pH 5.5): 58.76; (8)ACD/KOC (pH 7.4): 58.76; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 37.816 cm3; (15)Molar Volume: 118.47 cm3; (16)Polarizability: 14.991×10-24cm3; (17)Surface Tension: 46.39 dyne/cm; (18)Density: 1.149 g/cm3; (19)Flash Point: 100.368 °C; (20)Enthalpy of Vaporization: 50.899 kJ/mol; (21)Boiling Point: 244.615 °C at 760 mmHg; (22)Vapour Pressure: 0.016 mmHg at 25°C.
Preparation of 2-Hydroxyacetophenone: this chemical can be prepared by 2-acetoxy-1-phenyl-ethanone at the temperature of 60 °C. This reaction will need reagent conc. HCl and solvent methanol with the reaction time of 4 hours. The yield is about 90%.
Uses of 2-Hydroxyacetophenone: it can be used to produce 2-hydroxy-1-phenyl-ethanone-(1)-oxime by heating. It will need reagents NH2OH·HCl, Na2CO3 and solvent aq. ethanol with the reaction time of 24 hours. The yield is about 92%.
When you are using this chemical, please be cautious about it as the following:
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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)CO
(2)Std. InChI: InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2
(3)Std. InChIKey: ZWVHTXAYIKBMEE-UHFFFAOYSA-N