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594-82-1

Basic Information
CAS No.: 594-82-1
Name: 2,2,3,3-TETRAMETHYLBUTANE
Article Data: 86
Molecular Structure:
Molecular Structure of 594-82-1 (2,2,3,3-TETRAMETHYLBUTANE)
Formula: C8H18
Molecular Weight: 114.231
Synonyms: 2,2,3,3-Tetramethylbutane;Ethane, hexamethyl-;Hexamethylethane;NSC 62039;Tetramethylbutane;
EINECS: 209-855-6
Density: 0.71g/cm3
Melting Point: 94-97 °C(lit.)
Boiling Point: 106.3 °C at 760 mmHg
Flash Point: 4.4 °C
Solubility: insoluble in water
Appearance: colorless Solid
Hazard Symbols: FlammableF
Risk Codes: 10
Safety: 16-27-33-36
Transport Information: UN 1325
PSA: 0.00000
LogP: 3.07860
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Specification

The Butane,2,2,3,3-tetramethyl-, with CAS registry number 594-82-1, belongs to the following product category: Miscellaneous. It has the systematic name of 2,2,3,3-tetramethylbutane. Besides this, it is also called Ethane, hexamethyl-. And the chemical formula of this chemical is C8H18. What's more, its EINECS is 209-855-6.

Physical properties of Butane,2,2,3,3-tetramethyl-: (1)ACD/LogP: 4.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.27; (4)ACD/LogD (pH 7.4): 4.27; (5)ACD/BCF (pH 5.5): 1044.12; (6)ACD/BCF (pH 7.4): 1044.12; (7)ACD/KOC (pH 5.5): 5039.9; (8)ACD/KOC (pH 7.4): 5039.9; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.401; (14)Molar Refractivity: 39.04 cm3; (15)Molar Volume: 160.6 cm3; (16)Polarizability: 15.47×10-24cm3; (17)Surface Tension: 20.1 dyne/cm; (18)Density: 0.71 g/cm3; (19)Flash Point: 4.4 °C; (20)Enthalpy of Vaporization: 33.09 kJ/mol; (21)Boiling Point: 106.3 °C at 760 mmHg; (22)Vapour Pressure: 33.2 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,2-dimethyl-propionyl chloride and Dimethyl-titan-dichlorid. This reaction will need solvent CH2Cl2. The reaction time is 2 hour(s). The yield is about 35%.

Butane,2,2,3,3-tetramethyl- can be prepared by 2,2-dimethyl-propionyl chloride and solvent Dimethyl-titan-dichlorid.

When you are using this chemical, please be cautious about it as the following:
The Butane,2,2,3,3-tetramethyl- is flammable, so keep it away from sources of ignition. You should take precautionary measures against static discharges. When use it, wear suitable protective clothing. After using it, take off immediately all contaminated clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)C(C)(C)C
(2)InChI: InChI=1/C8H18/c1-7(2,3)8(4,5)6/h1-6H3
(3)InChIKey: OMMLUKLXGSRPHK-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3
(5)Std. InChIKey: OMMLUKLXGSRPHK-UHFFFAOYSA-N