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| CAS No.: | 2243-35-8 |
|---|---|
| Name: | Phenacyl acetate |
| Molecular Structure: | |
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| Formula: | C10H10O3 |
| Molecular Weight: | 178.188 |
| Synonyms: | Acetophenone,2-hydroxy-, acetate (6CI,7CI,8CI);2-Acetoxyacetophenone;2-Hydroxyacetophenoneacetate;Acetic acid 2-oxo-2-phenylethyl ester;NSC 9837;a-Acetoxyacetophenone;w-Acetoxyacetophenone; |
| EINECS: | -0 |
| Density: | 1.131 g/cm3 |
| Melting Point: | 48-50 °C |
| Boiling Point: | 270.7 °C at 760 mmHg |
| Flash Point: | 115.8 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 3077 |
| PSA: | 43.37000 |
| LogP: | 1.43240 |
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Specification
The systematic name of this chemical is Phenacyl acetate. With the CAS registry number 2243-35-8, it is also named as ethanone,2-(acetyloxy)-1-phenyl-. In addition, the molecular formula is C10H10O3 and the molecular weight is 178.18. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 1.66; (2)ACD/LogD (pH 5.5): 1.66; (3)ACD/LogD (pH 7.4): 1.66; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.512; (8)Molar Refractivity: 47.32 cm3; (9)Molar Volume: 157.4 cm3; (10)Polarizability: 18.75 ×10-24cm3; (11)Surface Tension: 40.3 dyne/cm; (12)Density: 1.131 g/cm3; (13)Flash Point: 115.8 °C; (14)Enthalpy of Vaporization: 50.89 kJ/mol; (15)Boiling Point: 270.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00673 mmHg at 25°C.
Preparation of Phenacyl acetate: it can be prepared by 2-chloro-1-phenyl-ethanone and acetic acid; potassium salt. This reaction will need reagent t-butylammonium bromide, and solvents benzene and H2O. The reaction time is 6 hours with heating.
Uses of Phenacyl acetate: it can be used to get 2-hydroxy-1-phenyl-ethanone. This reaction will need reagent HCl and solvent ethanol. The reaction time is 6 hours by heating. The yield is about 91%.
When you are using this chemical, please be cautious about it as the following:
It 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(COC(C)=O)c1ccccc1
(2)InChI: InChI=1/C10H10O3/c1-8(11)13-7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
(3)InChIKey: BGAXCPSNMHVHJC-UHFFFAOYAT