Benzene,1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy- supplier

Name
1,4-DI-TERT-BUTYL-2,5-DIMETHOXYBENZENE
EINECS
CAS No. 7323-63-9
Article Data10
CAS DataBase
Density 0.924 g/cm³
Solubility
Melting Point 103-104 °C
Formula C₁₆H₂₆O₂
Boiling Point 336.3 °C at 760 mmHg
Molecular Weight 250.381
Flash Point 115.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene,1,4-di-tert-butyl-2,5-dimethoxy- (7CI,8CI);1,4-Di-tert-butyl-2,5-dimethoxybenzene;1,4-Dimethoxy-2,5-di-tert-butylbenzene;2,5-Di-tert-butyl-1,4-dimethoxybenzene;NSC 124045;1,4-di(tert-butyl)-2,5-dimethoxybenzene;Benzene, 1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy-;1,4-ditert-butyl-2,5-dimethoxybenzene;
PSA 18.46000
LogP 4.29880

Benzene,1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy- Specification

The Benzene,1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy-, with the CAS registry number 7323-63-9, has the systematic name and IUPAC name of 1,4-di-tert-butyl-2,5-dimethoxybenzene. And the molecular formula of the chemical is C₁₆H₂₆O₂.

The characteristics of Benzene,1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy- are as followings: (1)ACD/LogP: 5.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.48; (4)ACD/LogD (pH 7.4): 5.48; (5)ACD/BCF (pH 5.5): 8541.04; (6)ACD/BCF (pH 7.4): 8541.04; (7)ACD/KOC (pH 5.5): 22686.41; (8)ACD/KOC (pH 7.4): 22686.41; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 76.38 cm³; (15)Molar Volume: 270.8 cm³; (16)Polarizability: 30.28 10^-24cm³; (17)Surface Tension: 26.8 dyne/cm; (18)Density: 0.924 g/cm³; (19)Flash Point: 115.3 °C; (20)Enthalpy of Vaporization: 55.65 kJ/mol; (21)Boiling Point: 336.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00022 mmHg at 25°C.

Preparation of Benzene,1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy-: This chemical can be prepared by 1,4-dimethoxy-benzene and 2-methyl-propan-2-ol. The reaction will need reagent oleum, and the menstruum acetic acid. And the yield is about 67%.

Uses of Benzene,1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy-: It can react with tetranitromethane to produce 1-tert-butyl-2,5-dimethoxy-4-nitro-benzene. This reaction will need menstruum acetonitrile. The reaction time is 6.5 hours with temperature of 25°C, and the yield is about 100%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1cc(c(OC)cc1C(C)(C)C)C(C)(C)C)C
(2)InChI: InChI=1/C16H26O2/c1-15(2,3)11-9-14(18-8)12(16(4,5)6)10-13(11)17-7/h9-10H,1-8H3
(3)InChIKey: ATGCJUULFWEWPY-UHFFFAOYAG

Product Name

1,4-DI-TERT-BUTYL-2,5-DIMETHOXYBENZENE

Benzene,1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy- Specification

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