8.20957

n-Pentane

EMPLURA^®

• Synonym(s): Pentane
• Linear Formula: CH₃(CH₂)₃CH₃
• CAS Number: 109-66-0
• Molecular Weight: 72.15
• UNSPSC Code: 12352001
• NACRES: NA.21
• EC Index Number: 203-692-4
• MDL number: MFCD00009498
• Beilstein/REAXYS Number: 969132
• Assay: ≥99% (GC)
• Bp: 35-36 °C (lit.)

Properties

• InChI: 1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
• SMILES string: CCCCC
• InChI key: OFBQJSOFQDEBGM-UHFFFAOYSA-N
• vapor density: 2.48 (vs air)
• product line: EMPLURA^®
• assay: ≥99% (GC)
• form: liquid
• autoignition temp.: 500 °F
• potency: >2000 mg/kg LD₅₀, oral (Rat)
• expl. lim.: ~8.3 %
• dilution: (low-cost alternative, for basic applications)
• Quality Level: 200
• bp: 35-36 °C (lit.)
• mp: −130 °C (lit.)
• transition temp: flash point -48 °C (refers to pure substance)
• solubility: 0.4 g/L
• density: 0.626 g/mL at 25 °C (lit.)
• storage temp.: 2-30°C

Description

General description

EMPLURA^® is our low-cost alternative to high-purity qualities. With EMPLURA we offer a range of solvents for a plurality of basic applications in non-regulated industries and for less demanding applications, preparative laboratory work and cleaning purposes. EMPLURA solvents provide adequate specifications with the most important parameters.

Application

• The effect of hydrogen bonding on the diffusion of water in n-alkanes and n-alcohols measured with a novel single microdroplet method.: This research investigates the diffusion behavior of water in n-pentane and other n-alkanes, emphasizing the role of hydrogen bonding. The novel single microdroplet method used in this study provides detailed insights into the molecular interactions and diffusion processes (Su et al., 2010).


• Enthalpy of solution of 1,4-naphthoquinone in CO2 + n-pentane in the critical region of the binary mixture: mechanism of solubility enhancement.: This paper explores the solubility mechanisms of 1,4-naphthoquinone in a CO2 and n-pentane mixture, particularly in the critical region. The study reveals how n-pentane enhances the solubility of organic compounds in supercritical CO2, with implications for industrial applications (Mu et al., 2004).


• Metabolism of n-pentane by ethanol-inducible cytochrome P-450 in liver microsomes and reconstituted membranes.: This research investigates the metabolic pathways of n-pentane in the presence of ethanol-inducible cytochrome P-450. The findings elucidate the role of specific enzymes in the biotransformation of n-pentane, with significant implications for toxicology and pharmacology (Terelius & Ingelman-Sundberg, 1986).

Analysis Note

Purity (GC): ≥ 99.0 %
Identity (IR): conforms
Density (d 20 °C/ 4 °C): 0.625 - 0.627

Legal Information

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

Safety Information

• pictograms: GHS02,GHS07,GHS08,GHS09
• signalword: Danger
• hcodes: H225 - H304 - H336 - H411
• pcodes: P210 - P233 - P240 - P273 - P301 + P310 - P331
• Hazard Classifications: Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - STOT SE 3
• target_organs: Respiratory system
• supp_hazards: EUH066
• Storage Class: 3 - Flammable liquids
• wgk: WGK 2
• flash_point_f: -40.0 °F
• flash_point_c: -40 °C