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3221-61-2

3221-61-2 Structure

3221-61-2 Structure
IdentificationMore
[Name]

2-METHYLOCTANE
[CAS]

3221-61-2
[Synonyms]

2-METHYLOCTANE
octane,2-methyl-
2-METHYLOCTANE 99+%
[EINECS(EC#)]

221-748-6
[Molecular Formula]

C9H20
[MDL Number]

MFCD00027307
[Molecular Weight]

128.26
[MOL File]

3221-61-2.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-80.37°C
[Boiling point ]

140-144 °C (lit.)
[density ]

0.714 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.403
[Fp ]

26 °C
[storage temp. ]

Storage temp. 2-8°C
[Stability:]

Stable. Highly flammable. Incompatible with strong oxidizing agents. Vapour may form explosive mixtures with air.
[BRN ]

1696918
[Dielectric constant]

1.97
[InChI]

1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3
[InChIKey]

ZUBZATZOEPUUQF-UHFFFAOYSA-N
[SMILES]

CCCCCCC(C)C
[LogP]

5.350 (est)
[CAS DataBase Reference]

3221-61-2(CAS DataBase Reference)
[EPA Substance Registry System]

Octane, 2-methyl- (3221-61-2)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H304-H226
[Precautionary statements ]

P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P331-P303+P361+P353-P301+P310-P403+P235-P405
[Risk Statements ]

R10:Flammable.
[RIDADR ]

UN 3295 3/PG 3
[WGK Germany ]

3
[HS Code ]

2901.10.5000
[HazardClass ]

3.2
[PackingGroup ]

III
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[Synthesis Reference(s)]

Journal of the American Chemical Society, 107, p. 3197, 1985 DOI: 10.1021/ja00297a027
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYLOCTANE(3221-61-2)1HNMR
2-METHYLOCTANE(3221-61-2)13CNMR
2-METHYLOCTANE(3221-61-2)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

3221-61-2(sigmaaldrich)
[TCI AMERICA]

2-Methyloctane,>99.0%(GC)(3221-61-2)
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