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8.21627

Sigma-Aldrich

Isooctane

for synthesis

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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:
12352001
EC Index Number:
208-759-1
NACRES:
NA.22

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

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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

Signal Word

Danger

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

Regulatory Information

危险化学品

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