2216-33-3

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2216-33-3 Structure

Identification	More
[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 Properties	Back 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)

Hazard Information	Back 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 Detail	Back 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 Information	Back Directory
[TCI AMERICA] 3-Methyloctane,>99.0%(GC)(2216-33-3)

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