CAS No.31706-57-7,6-METHYL-2-TETRALONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31706-57-7
Name:	6-METHYL-2-TETRALONE
Article Data:	7

Formula:	C₁₁H₁₂O
Molecular Weight:	160.216
Synonyms:	6-Methyl-2-tetralone;3,4-Dihydro-6-methyl-2(1H)-naphthalenone;6-methyl-3,4-dihydronaphthalen-2(1H)-one;
Density:	1.074 g/cm³
Boiling Point:	285.6 °C at 760 mmHg
Flash Point:	120.2 °C
PSA:	17.07000
LogP:	2.05280

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Specification

The 2(1H)-Naphthalenone,3,4-dihydro-6-methyl-, with the CAS registry number 31706-57-7, has the systematic name of 6-methyl-3,4-dihydronaphthalen-2(1H)-one. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₁₁H₁₂O.

The characteristics of 2(1H)-Naphthalenone,3,4-dihydro-6-methyl- are as followings: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.01; (6)ACD/BCF (pH 7.4): 27.01; (7)ACD/KOC (pH 5.5): 368.38; (8)ACD/KOC (pH 7.4): 368.38; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 47.99 cm³; (15)Molar Volume: 149 cm³; (16)Polarizability: 19.02×10^-24cm³; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.074 g/cm³; (19)Flash Point: 120.2 °C; (20)Enthalpy of Vaporization: 52.46 kJ/mol; (21)Boiling Point: 285.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00278 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2Cc1c(cc(cc1)C)CC2
(2)InChI: InChI=1/C11H12O/c1-8-2-3-10-7-11(12)5-4-9(10)6-8/h2-3,6H,4-5,7H2,1H3
(3)InChIKey: POHSCURLLMFLQU-UHFFFAOYAU