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Hexane
[CAS# 43133-95-5]

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Identification
Name Hexane
Molecular Structure CAS#: 43133-95-5, Hexane
Molecular Formula C6H14
Molecular Weight 86.18
CAS Registry Number 43133-95-5
SMILES CCCCCC
InChI 1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChIKey VLKZOEOYAKHREP-UHFFFAOYSA-N
Properties
Density 0.7±0.1g/cm3 (Cal.)
0.67 (Expl.)
Melting point -95°C (Expl.)
Boiling point 68.8889°C (Expl.)
68.5±3.0°C at 760 mmHg (Cal.)
Flash point -23.333°C (Cal.)
5°C (Expl.)
Refractive index 1.375 (Expl.)
solubility 0.002%
Safety Data
Safety Code S7/9;S16;S23;S26;S33;S36/37;S57;S60;S62  Details
Risk Code R11;R38;R48/20;R62;R51/53;R65;R67  Details
Hazard Symbol symbol  symbol  symbol  X;F;N  Details
Transport Information UN1208
Safety Description Safety glasses. Effective ventilation. Remove sources of ignition from the working area.
FLAMMABLE / HARMFUL TO THE ENVIRONMENT / HARMFUL / IRRITANT
DANGER: FLAMMABLE, causes CNS effects, irritates skin & eyes
References
(1) Magesh Sampath and Teck-Peng Loh. Highly enantio-, regio- and diastereo-selective one-pot [2 + 3]-cycloaddition reaction via isomerization of 3-butynoates to allenoates,, Chem. Sci., 2010, 1, 739.
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