2-Methyl-1-tetralone

The CAS register number of 2-Methyl-1-tetralone is 1590-08-5. It also can be called as 2-Methyl-3,4-dihydro-2H-naphthalen-1-one and the IUPAC name about this chemical is (2R)-2-methyl-3,4-dihydro-2H-naphthalen-1-one. The molecular formula about this chemical is C₁₁H₁₂O and the molecular weight is 160.21. It belongs to the following product categories, such as Heterocycles series; C11 to C12; Carbonyl Compounds; Ketones and so on. This chemical is irritating to eyes, respiratory system and skin. When you are using it, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about 2-Methyl-1-tetralone are: (1)ACD/LogP: 3.11; (2)ACD/LogD (pH 5.5): 3.1; (3)ACD/LogD (pH 7.4): 3.1; (4)ACD/BCF (pH 5.5): 134.73; (5)ACD/BCF (pH 7.4): 134.73; (6)ACD/KOC (pH 5.5): 1163.78; (7)ACD/KOC (pH 7.4): 1163.78; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07Ų; (10)Index of Refraction: 1.539; (11)Molar Refractivity: 47.87 cm³; (12)Molar Volume: 152.7 cm³; (13)Polarizability: 18.98x10^-24cm³; (14)Surface Tension: 36.6 dyne/cm; (15)Enthalpy of Vaporization: 50 kJ/mol; (16)Boiling Point: 262.3 °C at 760 mmHg; (17)Vapour Pressure: 0.011 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(1-methylethenyl)benzocyclobuten-1-ol. This reaction will need reagent toluene. The reaction time is 2 hour(s) with reaction temperature of 110 ℃. The yield is about 94%.

Uses of 2-Methyl-1-tetralone: it can be used to produce 2-methyl-[1,4]naphthoquinone. It will need reagent CrO₃.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(cccc1)CCC2C
(2)InChI: InChI=1/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3
(3)InChIKey: GANIBVZSZGNMNB-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3
(5)Std. InChIKey: GANIBVZSZGNMNB-UHFFFAOYSA-N