1.04390

n-Heptane

for liquid chromatography LiChrosolv^®

• Synonym(s): Heptane
• Linear Formula: CH₃(CH₂)₅CH₃
• CAS Number: 142-82-5
• Molecular Weight: 100.20
• Beilstein: 1730763
• MDL number: MFCD00009544
• EC Index Number: 205-563-8

Properties

• vapor density: 3.5 (vs air)
• Quality Level: 100
• vapor pressure: 40 mmHg ( 20 °C); 83 mmHg ( 37.7 °C)
• product line: LiChrosolv^®
• grade: isocratic
• Assay: ≥99.3% (GC)
• form: liquid
• autoignition temp.: 433 °F
• potency: >5000 mg/kg LD₅₀, oral (Rat); >2000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 7 %
• technique(s): HPLC: suitable
• impurities: ≤0.0002 meq/g Acidity; ≤0.0002 meq/g Alkalinity; ≤0.005% Water
• evapn. residue: ≤2.0 mg/L
• transmittance: 210 nm, ≥50%; 220 nm, ≥80%; 245 nm, ≥98%
• 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.)
• storage temp.: 2-30°C
• SMILES string: CCCCCCC
• InChI: 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
• InChI key: IMNFDUFMRHMDMM-UHFFFAOYSA-N

Description

General description

LiChrosolv^® solvents exhibit high degree of UV transmittance, low particle count, low acidity and alkalinity and low evaporation residue level. This makes them suitable for reproducible separations.

Application

Intended for U/HPLC and LC-MS/MS applications.
Also reported for use as a component of extraction mixture in screening drugs of abuse in urine samples by GC-MS.

Features and Benefits

• suitability tested and specified for UHPLC-MS and UHPLC-UV: for analytical flexibility
• specified quality in positive and negative electrospray ionization (ESI) and atmospheric-pressure chemical ionization-mass spectrometry (APCI-MS) for lowest detection limits and confidence in analyses in all important MS modes (test 1)

—ESI/APCI (+) < 2 ppb
—ESI/APCI (-) < 10 ppb

• lowest impurity profile: for interference-free baselines (test 2)
• microfiltered through 0.2 μm filter (test 3) to provide:

—a long lifespan to filters and mechanical parts of HPLC systems
—reduced risk of column clogging

• packaged in borosilicate glass bottles for minimized contamination with metal ions
• lowest levels of trace metal impurities to minimize metal ion adduct formation

—<5ppb

• lowest level of polyethylene glycol (PEG) impurities in UHPLC-MS solvent lineup (PEG S/N signal-to-noise-ratio < 50)

Preparation Note

Product filtered through a 0.2 μm filter

Analysis Note

Purity (GC): ≥ 99.3 %
Identity (IR): conforms
Evaporation residue: ≤ 2.0 mg/l
Water: ≤ 0.005 %
Acidity: ≤ 0.0002 meq/g
Alkalinity: ≤ 0.0002 meq/g
Transmission (at 210 nm): ≥ 50 %
Transmission (at 220 nm): ≥ 80 %
Transmission (from 245 nm): ≥ 98 %
Filtered by 0.2 µm filter

Legal Information

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

Safety Information

• Pictograms: GHS02,GHS07,GHS08,GHS09
• Signal Word: Danger
• Hazard Statements: H225 - H304 - H315 - H336 - H410
• Precautionary Statements: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 24.8 °F
• Flash Point(C): -4 °C