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4-METHYLOCTANE

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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
Mol File:
2216-34-4.mol
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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
Flash point:
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 Constant
10 atm?m3/mol at 25 °C (Mackay and Shiu, 1981)
Dielectric constant
1.97
Exposure limits
ACGIH TLV: TWA for all isomers 200 ppm (adopted).
LogP
5.350 (est)
CAS DataBase Reference
2216-34-4
EPA Substance Registry System
Octane, 4-methyl- (2216-34-4)
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Safety Information

Hazard Codes 
F
Risk Statements 
11
Safety Statements 
16
RIDADR 
1920
HazardClass 
3.1
PackingGroup 
II
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4-METHYLOCTANE Usage And Synthesis

Chemical Properties

Clear, colorless, watery, flammable liquid with a faint hydrocarbon odor resembling gasoline or similarly structured alkanes, e.g., 3-methyloctane.

Uses

Gasoline component; organic synthesis.

Synthesis Reference(s)

Journal of the American Chemical Society, 103, p. 7672, 1981 DOI: 10.1021/ja00415a055

Environmental Fate

Chemical/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.

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