8.21627

Isooctane

for synthesis

• 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/REAXYS Number: 1696876
• MDL number: MFCD00008943
• UNSPSC Code: 12352001
• EC Index Number: 208-759-1
• NACRES: NA.22

Properties

• vapor density: 3.9 (vs air)
• Quality Level: 200
• vapor pressure: 41 mmHg ( 21 °C)
• assay: ≥99% (GC)
• form: liquid
• autoignition temp.: 745 °F
• potency: >2500 mg/kg LD₅₀, oral (Rat)
• expl. lim.: 6 %
• 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.)
• 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

• Green synthesis of beta-sitostanol esters catalyzed by the versatile lipase/sterol esterase from Ophiostoma piceae.: This study explores the use of Isooctane as a solvent in the green synthesis of beta-sitostanol esters. The research demonstrates the effectiveness of isooctane in enhancing the catalytic activity of lipase/sterol esterase, making it a valuable solvent in sustainable chemistry applications for the food industry (Molina-Gutirrez et al., 2017).


• Single-Step Partial Purification of Intracellular beta-Galactosidase from Kluyveromyces lactis Using Microemulsion Droplets.: This research employs isooctane in the formation of microemulsion droplets for the partial purification of beta-galactosidase. The study highlights the utility of isooctane in biotechnological applications, particularly in enzyme purification and biocatalysis (Mazı et al., 2016).


• Profiling of urinary amino-carboxylic metabolites by in-situ heptafluorobutyl chloroformate mediated sample preparation and gas chromatography-mass spectrometry.: Isooctane is used as a solvent in the sample preparation process for profiling urinary metabolites. The study showcases isooctane′s role in enhancing the sensitivity and specificity of gas chromatography-mass spectrometry (GC-MS) analyses in clinical and biochemical research (Huek et al., 2016).


• Extraction of bovine serum albumin using reverse micelles formed by hexadecyl trimethyl ammonium chloride.: Isooctane is utilized in the formation of reverse micelles for the extraction of bovine serum albumin. This research underscores the potential of isooctane in bioprocessing and protein purification, relevant to biochemistry and molecular biology fields (Sun et al., 2011).

Specifications

Saturation Concentration in Air: 239 g/m3 (20 °C)

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.691 - 0.692
Identity (IR): passes test

Safety Information

• pictograms: GHS02,GHS07,GHS08,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: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 10.4 °F - closed cup
• flash_point_c: -12 °C - closed cup