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1.15440

Isooctane

for gas chromatography ECD and FID SupraSolv®

Synonym(s):

2,2,4-Trimethylpentane, 2,2,4-Trimethylpentane, Isobutyltrimethylmethane, iso-Octane, Isooctane

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About This Item

Linear Formula:
(CH3)2CHCH2C(CH3)3
CAS Number:
540-84-1
Molecular Weight:
114.23
UNSPSC Code:
12191502
NACRES:
NA.03
EC Index Number:
208-759-1
MDL number:
MFCD00008943
Beilstein/REAXYS Number:
1696876
Assay:
≥99.8% (GC)
Technique(s):
gas chromatography (GC): suitable
Bp:
98-99 °C (lit.)
Vapor pressure:
41 mmHg ( 21 °C)
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vapor density

3.9 (vs air)

Quality Segment

100

vapor pressure

41 mmHg ( 21 °C)

product line

SupraSolv®

assay

≥99.8% (GC)

form

liquid

autoignition temp.

745 °F

potency

>2500 mg/kg LD50, oral (Rat)

expl. lim.

6 %

technique(s)

gas chromatography (GC): suitable

refractive index

n20/D 1.391 (lit.)

pH

7

bp

98-99 °C (lit.)

mp

−107 °C (lit.)

transition temp

flash point -12 °C

solubility

0.56 mg/L

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

General description

SupraSolv® ECD and FID is a high-purity solvent grade specifically formulated for sample preparation in gas chromatography with electron capture (ECD) and flame ionization (FID) detection.ECD and FID impose distinct and stringent solvent purity requirements. The electron capture detector is exquisitely sensitive to electronegative species — particularly halogenated compounds — at sub-nanogram concentrations, while the flame ionization detector responds to any carbon-containing organic impurity undergoing combustion. SupraSolv® ECD and FID solvents are therefore subjected to rigorous purification and detector-specific testing protocols to ensure that intrinsic solvent impurities remain below the respective detection thresholds of both detector types simultaneously.

Application

Ideal for GC applications including sensitive detection in residue and environmental analysis.
The product is reported for used as a solvent in analyses of:
  • commercial technical mixtures (aroclors) and in environmental samples for polychlorinated dibenzo-p-dioxins (PCDD), polychlorinated dibenzofurans (PCDF) and polychlorinated biphenyls (PCB) by high resolution gas chromatography coupled to electron capture detector (HRGC-ECD)
  • sewage and soil samples for PCB congeners using HRGC-ECD or HRGC in conjunction with high resolution mass spectrometry (HRMS)

Features and Benefits

• Dual-detector validation for both ECD and FID within a single solvent grade• Detector-specific impurity control, targeting the precise analyte classes most detrimental to ECD (halogenated compounds) and FID (hydrocarbons and organic residues) performance, resp.• Widest specified retention time range, guaranteeing a clean chromatographic baseline from early- to late-eluting analytes• Batch-to-batch consistency, ensuring long-term reproducibility across routine and regulatory analytical workflows

Analysis Note

SupraSolv® ECD and FID solvents are tested and certified against stringent detector-specific purity thresholds across defined chromatographic retention time windows, including:
  • GC-ECD (early retention window): ≤ 1 ng/mL relative to tetrachloromethane
  • GC-ECD (late retention window): ≤ 2 pg/mL relative to lindane
  • GC-FID: ≤ 2 ng/mL relative to n-tetradecane

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

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

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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

3 - Flammable liquids

wgk

WGK 2

flash_point_f

10.4 °F - closed cup

flash_point_c

-12 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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