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/REAXYS Number: 1730763
• MDL number: MFCD00009544
• UNSPSC Code: 12191502
• EC Index Number: 205-563-8
• NACRES: NA.03

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 %
• greener alternative product characteristics: Safer Solvents and Auxiliaries; Learn more about the Principles of Green Chemistry.
• sustainability: Greener Alternative Product
• 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.)
• greener alternative category: Aligned
• 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.

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. Heptane is an environmentally preferable solvent compared to hexane and thus align with "Safer Solvents and Auxiliaries". Click here for more information.

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

Other Notes

Explore various lab safety accessories and equipment for safe handling of solvents to increase your safety level from the first usage.

Legal Information

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

Safety Information

• pictograms: GHS02,GHS08,GHS07,GHS09
• signalword: Danger
• hcodes: H225,H304,H315,H336,H410
• pcodes: 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: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 24.8 °F - closed cup
• flash_point_c: -4 °C - closed cup