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n-Heptane

EMPLURA®

Synonym: Heptane

  • CAS Number 142-82-5

  • Linear Formula CH3(CH2)5CH3

  • Molecular Weight 100.20

  •  Beilstein/REAXYS Number 1730763

  •  MDL number MFCD00009544

  •  EC Index Number 205-563-8

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Properties

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Quality Level   200
vapor density   3.5 (vs air)
vapor pressure   40 mmHg ( 20 °C)
  83 mmHg ( 37.7 °C)
assay   ≥99% (GC)
form   liquid
autoignition temp.   433 °F
potency   >5000 mg/kg LD50, oral (Rat)
  >2000 mg/kg LD50, skin (Rabbit)
expl. lim.   7 %
refractive index   n20/D 1.387 (lit.)
bp   98 °C (lit.)
mp   −91 °C (lit.)
transition temp   flash point -4 °C
solubility   0.05 g/L
density   0.684 g/mL at 25 °C (lit.)
SMILES string   CCCCCCC
InChI   1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChI key   IMNFDUFMRHMDMM-UHFFFAOYSA-N
storage conditions   Store at +5°C to +30°C.

Description

Analysis Note

Purity (GC): ≥ 99.0 %
Identity (IR): conforms
Free acid (as CH₃COOH): ≤ 0.005 %
Density (d 20 °C/ 4 °C): 0.683 - 0.684
Matter discolored by H₂SO₄: ≤ 10 Hazen
Evaporation residue: ≤ 0.0050 %

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EMPLURA is a registered trademark of Merck KGaA, Darmstadt, Germany

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