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ChemicalBook--->CAS DataBase List--->2216-34-4

2216-34-4

2216-34-4 Structure

2216-34-4 Structure
IdentificationBack Directory
[Name]

4-METHYLOCTANE
[CAS]

2216-34-4
[Synonyms]

Nsc23691
NISTC2216344
4-METHYLOCTANE
Octane, 4-methyl-
1,3-dimethylheptane
[EINECS(EC#)]

218-687-2
[Molecular Formula]

C9H20
[MDL Number]

MFCD00039963
[MOL File]

2216-34-4.mol
[Molecular Weight]

128.26
Chemical PropertiesBack Directory
[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 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)
Safety DataBack Directory
[Hazard Codes ]

F
[Risk Statements ]

11
[Safety Statements ]

16
[RIDADR ]

1920
[HazardClass ]

3.1
[PackingGroup ]

II
Hazard InformationBack Directory
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

4-METHYLOCTANE(2216-34-4)1HNMR
4-METHYLOCTANE(2216-34-4)13CNMR
4-METHYLOCTANE(2216-34-4)IR1
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