4-METHYL-1-ACETONAPHTHONE

The Ethanone,1-(4-methyl-1-naphthalenyl)-, with the CAS registry number 28418-86-2, is also known as 4-Acetyl-1-methylnaphthalene. This chemical's molecular formula is C₁₃H₁₂O and molecular weight is 184.23. What's more, its IUPAC name and systematic name are the same which is called 1-(4-Methylnaphthalen-1-yl)ethanone. Additionally, it should be preserved hermetically and put in a cool, dry place. You should ensure that workplaces have good ventilation or exhaust.

Physical properties about Ethanone,1-(4-methyl-1-naphthalenyl)-: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 209.09; (6)ACD/BCF (pH 7.4): 209.09; (7)ACD/KOC (pH 5.5): 1594.07; (8)ACD/KOC (pH 7.4): 1594.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13) Index of Refraction: 1.604; (14)Molar Refractivity: 58.94 cm³; (15) Molar Volume: 171.3 cm³; (16)Surface Tension: 41.1 dyne/cm; (17)Density: 1.075 g/cm³; (18)Flash Point: 140.3 °C; (19)Enthalpy of Vaporization: 56.72 kJ/mol; (20)Boiling Point: 325.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000235 mmHg at 25 °C; (22)Melting point: 39 °C.

Preparation of Ethanone,1-(4-methyl-1-naphthalenyl)-: it can be obtained by Acetyl chloride and 1-Methyl-naphthalene. The reaction occurs with reagent AlCl₃ and solvent CH₂Cl₂ at ambient temperature for 4 hours. The yield is 71.4%.

Uses of Ethanone,1-(4-methyl-1-naphthalenyl)-: it is used to produce 4-Methyl-naphthalene-1-carboxylic acid. The reaction occurs with reagent NaOCl and solvent H₂O heating for 4.5 hours. The yield is 91%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2c1ccccc1c(cc2)C)C
(2) InChI: InChI=1/C13H12O/c1-9-7-8-12(10(2)14)13-6-4-3-5-11(9)13/h3-8H,1-2H3
(3) InChIKey: BKGIZYOJHJKFJP-UHFFFAOYAZ