1.04727

Isooctane

for analysis EMSURE^® ACS,Reag. Ph Eur

• Synonym(s): 2,2,4-Trimethylpentane, 2,2,4-Trimethylpentane, Isobutyltrimethylmethane, iso-Octane, Isooctane
• Linear Formula: (CH₃)₂CHCH₂C(CH₃)₃
• CAS Number: 540-84-1
• Molecular Weight: 114.23
• Beilstein: 1696876
• MDL number: MFCD00008943
• UNSPSC Code: 12191502
• EC Index Number: 208-759-1
• NACRES: NB.21

Properties

• grade: ACS reagent
• Quality Level: 300
• Agency: reag. Ph. Eur.
• vapor density: 3.9 (vs air)
• vapor pressure: 41 mmHg ( 21 °C)
• product line: EMSURE^®
• Assay: ≥99.5% (GC)
• form: liquid
• autoignition temp.: 745 °F
• potency: >2500 mg/kg LD₅₀, oral (Rat)
• expl. lim.: 6 %
• impurities: ≤0.0003 meq/g Acidity; ≤0.005% Sulfur compounds (as S); ≤0.01% Water
• evapn. residue: ≤0.001%
• color: APHA: ≤10
• transmittance: 250-420 nm, ≥98%
• refractive index: n20/D 1.391 (lit.)
• pH: 7
• bp: 98-99 °C (lit.)
• mp: −107 °C (lit.)
• transition temp: flash point -12 °C
• density: 0.692 g/mL at 25 °C (lit.)
• cation traces: Al: ≤0.00005%; B: ≤0.000002%; Ba: ≤0.00001%; Ca: ≤0.00005%; Cd: ≤0.000005%; Co: ≤0.000002%; Cr: ≤0.000002%; Cu: ≤0.000002%; Fe: ≤0.00001%; Mg: ≤0.00001%; Mn: ≤0.000002%; Ni: ≤0.000002%; Pb: ≤0.00001%; Sn: ≤0.00001%; Zn: ≤0.00001%
• storage temp.: 2-30°C
• SMILES string: CC(C)CC(C)(C)C
• InChI: 1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
• InChI key: NHTMVDHEPJAVLT-UHFFFAOYSA-N

Description

Application

• Behavior of acetyl modified amino acids in reverse micelles: a non-invasive and physiochemical approach.: This study utilizes isooctane in reverse micelles to explore the behavior of acetyl modified amino acids. The findings emphasize isooctane′s role in facilitating non-invasive and physiochemical analyses, highlighting its importance in analytical chemistry and biochemical studies (Mehta et al., 2007).


• Nonionic surfactants: a key to enhance the enzyme activity at cationic reverse micellar interface.: The research investigates the use of isooctane in forming cationic reverse micelles with nonionic surfactants to enhance enzyme activity. Isooctane′s effectiveness in this context underscores its value in biocatalysis and enzymatic studies (Shome et al., 2007).


• Lecithin organogels used as bioactive compounds carriers. A microdomain properties investigation.: This study explores the application of isooctane in lecithin organogels for carrying bioactive compounds. Isooctane′s role in stabilizing the microdomains within the organogels is crucial for their effectiveness in drug delivery systems (Avramiotis et al., 2007).


• Switching electrical conductivity in an AOT-isooctane-water microemulsion through photodimerization of solubilized N-methyl-2-quinolone.: This research demonstrates the use of isooctane in AOT-water microemulsions to switch electrical conductivity via photodimerization. The study highlights isooctane′s utility in developing responsive materials for advanced chemical and physical applications (Bufe and Wolff, 2006).


• Photochromism of crown ethers with incorporated azobenzene moiety.: Isooctane is utilized in studying the photochromism of crown ethers with azobenzene moieties. The findings underscore isooctane′s role in facilitating the investigation of photoresponsive materials, relevant to materials science and photochemistry (Janus and Sworakowski, 2005).

Analysis Note

Purity (GC): ≥ 99.5 %
Identity (IR): conforms
Color: ≤ 10 Hazen
Acidity: ≤ 0.0003 meq/g
Density (d 20 °C/20 °C): 0.691 - 0.696
Refractive index (n 20/D): 1.391 - 1.393
Boiling range (98-100°C): ≥ 95 % (v/v)
Sulfur compounds (as S): ≤ 0.005 %
Readily carbonizable substances: conforms
Transmission (between 250nm and 420nm): ≥ 98 %
Al (Aluminium): ≤ 0.00005 %
B (Boron): ≤ 0.000002 %
Ba (Barium): ≤ 0.00001 %
Ca (Calcium): ≤ 0.00005 %
Cd (Cadmium): ≤ 0.000005 %
Co (Cobalt): ≤ 0.000002 %
Cr (Chromium): ≤ 0.000002 %
Cu (Copper): ≤ 0.000002 %
Fe (Iron): ≤ 0.00001 %
Mg (Magnesium): ≤ 0.00001 %
Mn (Manganese): ≤ 0.000002 %
Ni (Nickel): ≤ 0.000002 %
Pb (Lead): ≤ 0.00001 %
Sn (Tin): ≤ 0.00001 %
Zn (Zinc): ≤ 0.00001 %
Evaporation residue: ≤ 0.001 %
Water: ≤ 0.01 %
Corresponds to ACS, Ph Eur-reagent

Legal Information

EMSURE 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: Central nervous system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 10.4 °F - closed cup
• Flash Point(C): -12 °C - closed cup