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21388-17-0

Basic Information
CAS No.: 21388-17-0
Name: 6-Ethyl-2-methoxylnaphthaline
Article Data: 1
Molecular Structure:
Molecular Structure of 21388-17-0 (6-Ethyl-2-methoxylnaphthaline )
Formula: C13H14O
Molecular Weight: 186.254
Synonyms: 2-Ethyl-6-methoxynaphthalene;2-Methoxy-6-ethylnaphthalene;
Density: 1.033g/cm3
Melting Point: 57-58℃
Boiling Point: 301.893 °C at 760 mmHg
Flash Point: 117.475 °C
PSA: 9.23000
LogP: 3.41080
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Specification

The 6-Ethyl-2-methoxylnaphthaline , with CAS registry number 21388-17-0, has the systematic name of 2-ethyl-6-methoxynaphthalene. Besides this, it is also called 6-ethylnaphthalen-2-yl methyl ether. And the chemical formula of this chemical is C13H14O.

Physical properties of 6-Ethyl-2-methoxylnaphthaline : (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.584; (8)Molar Refractivity: 60.323 cm3; (9)Molar Volume: 180.369 cm3; (10)Polarizability: 23.914×10-24cm3; (11)Surface Tension: 36.842 dyne/cm; (12)Density: 1.033 g/cm3; (13)Flash Point: 117.475 °C; (14)Enthalpy of Vaporization: 52.04 kJ/mol; (15)Boiling Point: 301.893 °C at 760 mmHg; (16)Vapour Pressure: 0.002 mmHg at 25°C.

Preparation: this chemical can be prepared by 7-(1-ethyl-vinyl)-3-methoxy-bicyclo[4.2.0]octa-1,3,5-triene. This reaction will need reagent MnO2 and solvent various solvent(s). The reaction time is 20 hour(s) with reaction temperature of 180 ℃. The yield is about 66%.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c2ccc1c(ccc(c1)CC)c2)C
(2)InChI: InChI=1/C13H14O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h4-9H,3H2,1-2H3
(3)InChIKey: HTNFZFBCAOZBRK-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C13H14O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h4-9H,3H2,1-2H3
(5)Std. InChIKey: HTNFZFBCAOZBRK-UHFFFAOYSA-N