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| | 2,2,3,3-Tetramethylbutane Basic information |
| Product Name: | 2,2,3,3-Tetramethylbutane | | Synonyms: | Hexamethylethane,99%;NSC 62039;2,2,3,3-Tetramethylbutane >=94%;2,2,3,3-TETRAMETHYLBUTANE;HEXAMETHYLETHANE;(CH3)3CC(CH3)3;Ethane, hexamethyl-;bi-tert-butyl | | CAS: | 594-82-1 | | MF: | C8H18 | | MW: | 114.23 | | EINECS: | 209-855-6 | | Product Categories: | Miscellaneous | | Mol File: | 594-82-1.mol |  |
| | 2,2,3,3-Tetramethylbutane Chemical Properties |
| Melting point | 94-97 °C(lit.) | | Boiling point | 106.29°C | | density | 0.6920 | | refractive index | 1.4095 | | Fp | 40 °F | | Specific Heat Capacity | Cp(crystal): 2.09 J/(g·K), at 25℃ | | Henry's Law Constant | 3.3×10-6 mol/(m3Pa) at 25℃, Yaws (2003) | | InChI | 1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3 | | InChIKey | OMMLUKLXGSRPHK-UHFFFAOYSA-N | | SMILES | CC(C)(C)C(C)(C)C | | CAS DataBase Reference | 594-82-1(CAS DataBase Reference) | | EPA Substance Registry System | Butane, 2,2,3,3-tetramethyl- (594-82-1) |
| Hazard Codes | F,N,Xn | | Risk Statements | 10-67-65-50/53-38-11 | | Safety Statements | 16-27-33-36-62-61-60-29-9 | | RIDADR | UN 1325 4.1/PG 2 | | WGK Germany | 3 | | HazardClass | 4.1 | | PackingGroup | II | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Aquatic Acute 1
Aquatic Chronic 1
Asp. Tox. 1
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3 |
| | 2,2,3,3-Tetramethylbutane Usage And Synthesis |
| Description | 2,2,3,3-Tetramethylbutane is a hydrocarbon and one of the isomers of octane. Octanes may be found in gasoline. | | Synthesis Reference(s) | The Journal of Organic Chemistry, 21, p. 322, 1956 DOI: 10.1021/jo01109a016 |
| | 2,2,3,3-Tetramethylbutane Preparation Products And Raw materials |
| Raw materials | Propargyl iodide-->4,4-Dimethyl-1-pentyne.-->1-tert-Butylpropadiene-->2,2-Dimethyl-3-hexanol-->1,5-Hexadiyne-->2,3,3-Trimethyl-1-butene-->2,3-Dimethyl-2-pentene-->2,2,3-Trimethylpentane-->Ethane-->2-Iodo-2-methylpropane-->Isobutane-->1-Butanol-->2,2-Dimethylpropane-->Butyryl chloride-->Benzene-->Isobutylene | | Preparation Products | 3,3-Dimethylpentane |
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