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2216-33-3

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2216-33-3 Structure

2216-33-3 Structure
IdentificationMore
[Name]

3-METHYLOCTANE
[CAS]

2216-33-3
[Synonyms]

3-METHYLOCTANE
Methyloctane
Octane, 3-methyl-
3-METHYLOCTANE 99+%
[EINECS(EC#)]

218-686-7
[Molecular Formula]

C9H20
[MDL Number]

MFCD00042906
[Molecular Weight]

128.26
[MOL File]

2216-33-3.mol
Chemical PropertiesBack Directory
[Melting point ]

-107.6°C
[Boiling point ]

144 °C
[density ]

0.72
[refractive index ]

n20/D 1.407
[Fp ]

32 °C
[solubility ]

soluble in Ether,Benzene,Acetone
[form ]

clear liquid
[color ]

Colorless
[Water Solubility ]

0.8mg/L(23 ºC)
[Dielectric constant]

30.0（21℃）
[Stability:]

Volatile
[LogP]

5.350 (est)
[CAS DataBase Reference]

2216-33-3(CAS DataBase Reference)
[EPA Substance Registry System]

Octane, 3-methyl- (2216-33-3)
Safety DataBack Directory
[Risk Statements ]

R10:Flammable.
[RIDADR ]

1920
[HS Code ]

2901.10.5000
[HazardClass ]

3.1
[PackingGroup ]

II
Hazard InformationBack Directory
[Uses]

3-Methyloctane is a volatile organic compounds in breath as markers of human lung cancer.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 49, p. 3928, 1984 DOI: 10.1021/jo00195a009
[Purification Methods]

Take it through a silica gel column and distil it. [Klassen & Ross J Phys Chem 91 3668 1987, Beilstein 1 IV 455]
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYLOCTANE(2216-33-3)MS
3-METHYLOCTANE(2216-33-3)1HNMR
3-METHYLOCTANE(2216-33-3)13CNMR
3-METHYLOCTANE(2216-33-3)IR1
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

3-Methyloctane,>99.0%(GC)(2216-33-3)
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