4-METHYLOCTANE

4-METHYLOCTANE Basic information
Product Name:4-METHYLOCTANE
Synonyms:1,3-dimethylheptane;4-METHYLOCTANE;Octane, 4-methyl-;NISTC2216344;Nsc23691
CAS:2216-34-4
MF:C9H20
MW:128.26
EINECS:218-687-2
Product Categories:
Mol File:2216-34-4.mol
4-METHYLOCTANE Structure
4-METHYLOCTANE Chemical Properties
Melting point -113.2°C
Boiling point 142 °C
density 0.72
vapor pressure 7 at 25 °C (Wilhoit and Zwolinski, 1971)
refractive index n20/D 1.405
Fp 20 °C
solubility Soluble in acetone, alcohol, benzene, and ether (Weast, 1986)
form Oil
color Colourless
Water Solubility 115 μg/kg at 25 °C (shake flask-GLC, Price, 1976)
Henry's Law Constant10 atm?m3/mol at 25 °C (Mackay and Shiu, 1981)
Exposure limitsACGIH TLV: TWA for all isomers 200 ppm (adopted).
LogP5.350 (est)
CAS DataBase Reference2216-34-4
EPA Substance Registry SystemOctane, 4-methyl- (2216-34-4)
Safety Information
Hazard Codes F
Risk Statements 11
Safety Statements 16
RIDADR 1920
HazardClass 3.1
PackingGroup II
MSDS Information
4-METHYLOCTANE Usage And Synthesis
Chemical PropertiesClear, colorless, watery, flammable liquid with a faint hydrocarbon odor resembling gasoline or similarly structured alkanes, e.g., 3-methyloctane.
UsesGasoline component; organic synthesis.
Synthesis Reference(s)Journal of the American Chemical Society, 103, p. 7672, 1981 DOI: 10.1021/ja00415a055
Environmental fateChemical/Physical. Complete combustion of 4-methyloctane in air produces carbon dioxide and water vapor. 4-Methyloctane will not hydrolyze because it does not contain a hydrolyzable functional group.
4-METHYLOCTANE Preparation Products And Raw materials
Preparation Products3,5-DIMETHYLHEPTANE-->2,3,5-TRIMETHYLHEXANE-->N-NONANE
VITAMIN K1 Cyclohexanepropionic acid 1-CYCLOHEXYL-1-PROPANOL (-)-TRANS-MYRTANOL ETHYL CYCLOHEXANEPROPIONATE METHYL O-METHYLPODOCARPATE (-)-CIS-MYRTANYLAMINE 3-CYCLOHEXYL-1-PROPANOL 1,2,4-TRIVINYLCYCLOHEXANE 4,4'-Diaminodicyclohexyl methane PERHYDROFLUORENE Butylferrocene AURORA KA-477 3-CARENE TRICYCLOHEXYLMETHANOL 4-CYCLOHEXYL-1-BUTANOL 4-CYCLOHEXYLBUTYRIC ACID DICYCLOHEXYLMETHANOL

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