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

Name
tert-butyl 2-methylphenyl ether
EINECS
CAS No. 15359-96-3
Article Data5
CAS DataBase
Density 0.916 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆O
Boiling Point 213.6 °C at 760 mmHg
Molecular Weight 164.247
Flash Point 83.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ether, tert-butyl o-tolyl;tert-Butyl 2-methylphenyl ether;
PSA 9.23000
LogP 3.17230

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

Product Name

tert-butyl 2-methylphenyl ether

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

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