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| CAS No.: | 1523-11-1 |
|---|---|
| Name: | 2-Naphthyl acetate |
| Molecular Structure: | |
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| Formula: | C12H10O2 |
| Molecular Weight: | 186.21 |
| Synonyms: | 2-Acetoxynaphthalene;2-Naphthalenyl acetate;Acetic acid 2-naphthyl ester;NSC37069;O-Acetyl-b-naphthol;b-Acetoxynaphthalene;b-Naphthol acetate;b-Naphthyl acetate;2-Naphthalenol,acetate (9CI);2-Naphthol, acetate (6CI,7CI,8CI); |
| EINECS: | 216-194-7 |
| Density: | 1.155 g/cm3 |
| Melting Point: | 67-70 °C(lit.) |
| Boiling Point: | 309.978 °C at 760 mmHg |
| Flash Point: | 110.402 °C |
| Solubility: | methanol: 0.1 g/mL, clear |
| Appearance: | White fluffy powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 26.30000 |
| LogP: | 2.76510 |
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Specification
This chemical is called 2-Naphthyl acetate, and its systematic name is naphthalen-2-yl acetate. With the molecular formula of C12H10O2, its molecular weight is 186.21. The CAS registry number of this chemical is 1523-11-1, and its product category is Aromatic Esters. In additon, this chemical is white powder, and it should be stored at the temperature of −20 °C.
Other characteristics of the 2-Naphthyl acetate can be summarised as followings: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.15; (6)ACD/BCF (pH 7.4): 77.15; (7)ACD/KOC (pH 5.5): 780.84; (8)ACD/KOC (pH 7.4): 780.84; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 55.43 cm3; (15)Molar Volume: 161.1 cm3; (16)Polarizability: 21.97×10-24cm3; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.155 g/cm3; (19)Flash Point: 110.4 °C; (20)Enthalpy of Vaporization: 55.08 kJ/mol; (21)Boiling Point: 310 °C at 760 mmHg; (22)Vapour Pressure: 0.000618 mmHg at 25°C.
Production method of this chemical: The 2-Naphthyl acetate could be obtained the reactants of acetic acid anhydride and naphthalen-2-ol. This reaction needs the reagent of expansive graphite, and the solvent of CH2Cl2. The yield is 98 %. In addition, this reaction should be taken for 2.5 hours at the temperature of 20 °C.
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Uses of this chemical: The 1-(2-hydroxy-[1]naphthyl)-ethanone could be obtained by the reactant of 2-Naphthyl acetate. This reaction needs the reagent of AlCl3-ZnCl2 on SiO2. The yield is 80 %. This reaction should be taken for 7 minutes, and the other condition is microwave irradiation.
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When you are using this chemical, please be cautious about it as the following: This chemical has risk of serious damage to the eyes. Wear eye / face protection when you use it. In case of contacting 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(Oc2ccc1c(cccc1)c2)C
2.InChI: InChI=1/C12H10O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3
3.InChIKey: RJNPPEUAJCEUPV-UHFFFAOYAF