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6-methyl-3,4-dihydronaphthalen-1(2H)-one

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Name

6-methyl-3,4-dihydronaphthalen-1(2H)-one

EINECS 256-913-1
CAS No. 51015-29-3 Density 1.074 g/cm3
PSA 17.07000 LogP 2.51400
Solubility N/A Melting Point N/A
Formula C11H12O Boiling Point 284.7 °C at 760 mmHg
Molecular Weight 160.216 Flash Point 119.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 51015-29-3 (6-METHYL-1-TETRALONE) Hazard Symbols N/A
Synonyms

6-Methyl-1-tetralone;6-Methyl-3,4-dihydronaphthalen-1(2H)-one;6-Methyl-a-tetralone;3,4-dihydro-6-methyl-1(2h)-naphthalenon;6-Methyl-1,2,3,4-tetrahydronaphthalene-1-one;

Article Data 31

6-methyl-3,4-dihydronaphthalen-1(2H)-one Specification

The CAS register number of 1(2H)-Naphthalenone,3,4-dihydro-6-methyl- is 51015-29-3. It also can be called as 6-Methyl-1-tetralone and the IUPAC name about this chemical is 6-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 category which includes pharmacetical.

Physical properties about 1(2H)-Naphthalenone,3,4-dihydro-6-methyl- are: (1)ACD/LogP: 3.07; (2)ACD/LogD (pH 5.5): 3.07; (3)ACD/LogD (pH 7.4): 3.07; (4)ACD/BCF (pH 5.5): 127.39; (5)ACD/BCF (pH 7.4): 127.39; (6)ACD/KOC (pH 5.5): 1118.06; (7)ACD/KOC (pH 7.4): 1118.06; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07 Å2; (10)Index of Refraction: 1.557; (11)Molar Refractivity: 47.99 cm3; (12)Molar Volume: 149 cm3; (13)Polarizability: 19.02x10-24cm3; (14)Surface Tension: 40.5 dyne/cm; (15)Density: 1.074 g/cm3; (16)Flash Point: 119.7 °C; (17)Enthalpy of Vaporization: 52.36 kJ/mol; (18)Boiling Point: 284.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00294 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-m-tolyl-butyric acid. This reaction will need reagent of polyphosphoric acid. The reaction needs catalytic agent. The reaction time is 3 hours with reaction temperature of 75 °C.

1(2H)-Naphthalenone,3,4-dihydro-6-methyl- can be prepared by 4-m-tolyl-butyric acid.

Uses of 1(2H)-Naphthalenone,3,4-dihydro-6-methyl-: it can be used to produce 6-methyl-1,2,3,4-tetrahydronaphthalen-1-ol. This reaction will need reagent of NaBH4 and solvents of ethanol, H2O. The reaction time is 3 hours with ambient temperature. The yield is about 75%.

1(2H)-Naphthalenone,3,4-dihydro-6-methyl- can be used to produce 6-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(cc(cc1)C)CCC2
(2)Std. InChI: InChI=1S/C11H12O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h5-7H,2-4H2,1H3
(3)Std. InChIKey: FPOGGJAFMWYNLI-UHFFFAOYSA-N

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