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15359-96-3

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Basic Information
CAS No.: 15359-96-3
Name: tert-butyl 2-methylphenyl ether
Article Data: 5
Molecular Structure:
Molecular Structure of 15359-96-3 (tert-butyl 2-methylphenyl ether)
Formula: C11H16O
Molecular Weight: 164.247
Synonyms: Ether, tert-butyl o-tolyl;tert-Butyl 2-methylphenyl ether;
Density: 0.916 g/cm3
Boiling Point: 213.6 °C at 760 mmHg
Flash Point: 83.8 °C
PSA: 9.23000
LogP: 3.17230
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  • Benzene,1-(1,1-dimethylethoxy)-2-methyl-

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    15359-96-3

    Benzene,1-(1,1-dimethylethoxy)-2-methyl-

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    Benzene,1-(1,1-dimethylethoxy)-2-methyl-

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  • tert-butyl 2-methylphenyl ether

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    tert-butyl 2-methylphenyl ether

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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Specification

The Benzene,1-(1,1-dimethylethoxy)-2-methyl-, with the CAS registry number 15359-96-3, is also known as Ether, tert-butyl o-tolyl. This chemical's molecular formula is C11H16O and molecular weight is 164.24. What's more, its IUPAC name is 1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene.

Physical properties of Benzene,1-(1,1-dimethylethoxy)-2-methyl- are: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/LogD (pH 7.4): 3.82; (5)ACD/BCF (pH 5.5): 472.83; (6)ACD/BCF (pH 7.4): 472.83; (7)ACD/KOC (pH 5.5): 2858.62; (8)ACD/KOC (pH 7.4): 2858.62; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 51.62 cm3; (15)Molar Volume: 179.2 cm3; (16)Polarizability: 20.46×10-24cm3; (17)Surface Tension: 29 dyne/cm; (18)Density: 0.916 g/cm3; (19)Flash Point: 83.8 °C; (20)Enthalpy of Vaporization: 43.16 kJ/mol; (21)Boiling Point: 213.6 °C at 760 mmHg; (22)Vapour Pressure: 0.237 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-bromo-2-methyl-benzene and 2-methyl-propan-2-ol; sodium salt at the temperature of 20°C. This reaction will need reagents Pd(dba)2, Ph5FcP(t-Bu)2 and solvent toluene with the reaction time of 14 hours. The yield is about 79%.

Benzene,1-(1,1-dimethylethoxy)-2-methyl- can be prepared by 1-bromo-2-methyl-benzene and 2-methyl-propan-2-ol; sodium salt at the temperature of 20°C

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1C)C(C)(C)C
(2)Std. InChI: InChI=1S/C11H16O/c1-9-7-5-6-8-10(9)12-11(2,3)4/h5-8H,1-4H3
(3)Std. InChIKey: LSDMDIYCJNRNBA-UHFFFAOYSA-N