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Heptane
[CAS 25495-88-9]

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Identification
Name Heptane
Synonyms [142-82-5]; CH3-[CH2]5-CH3; Dipropyl methane
Molecular Structure CAS#: 25495-88-9, Heptane
Molecular Formula C7H16
Molecular Weight 100.20
CAS Registry Number 25495-88-9
SMILES CCCCCCC
InChI 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChIKey IMNFDUFMRHMDMM-UHFFFAOYSA-N
Properties
Density 0.7±0.1g/cm3 (Cal.)
0.684 (Expl.)
Melting point -91°C (Expl.)
Boiling point 98.8±3.0°C at 760 mmHg (Cal.)
98.3333°C (Expl.)
Flash point -3.8889°C (Expl.)
-1.111°C (Cal.)
Refractive index 1.394 (Cal.)
1.3877 (Expl.)
solubility 0.0003%
Safety Data
Safety Code S9;S16;S29;S33;S60;S61;S62  Details
Risk Code R11;R38;R50/53;R65;R67  Details
Hazard Symbol symbol  symbol  symbol  X;F;N  Details
Transport Information UN1206
Safety Description Safety glasses and good ventilation.
DANGER: FLAMMABLE, causes CNS effects, irritates skin & eyes
WARNING: Irritates skin & eyes, may injure liver, kidney
References
(1) A. Javadi, N. Moradi, H. Möhwald and R. Miller. Adsorption of alkanes from the vapour phase on water drops measured by drop profile analysis tensiometry, Soft Matter, 2010, 6, 4710.
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