360597

2,2,4-Trimethylpentane

ACS reagent, ≥99.0%

• Synonym(s): Isooctane
• Linear Formula: (CH₃)₂CHCH₂C(CH₃)₃
• CAS Number: 540-84-1
• Molecular Weight: 114.23
• Beilstein: 1696876
• EC Number: 208-759-1
• MDL number: MFCD00008943
• UNSPSC Code: 12191502
• PubChem Substance ID: 329755268
• NACRES: NA.21
• grade: ACS reagent
• Assay: ≥99.0%
• bp: 98-99 °C (lit.)
• vapor pressure: 41 mmHg ( 21 °C)

Properties

• grade: ACS reagent
• Quality Level: 200
• vapor density: 3.9 (vs air)
• vapor pressure: 41 mmHg ( 21 °C)
• Assay: ≥99.0%
• form: liquid
• autoignition temp.: 745 °F
• expl. lim.: 6 %
• impurities: ≤0.0003 meq/g Water-soluble titr. acid; ≤0.005% S compounds
• evapn. residue: ≤0.001%
• color: APHA: ≤10
• refractive index: n20/D 1.391 (lit.)
• bp: 98-99 °C (lit.)
• mp: −107 °C (lit.)
• solubility: water: insoluble
• density: 0.692 g/mL at 25 °C (lit.)
• 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

General description

2,2,4-Trimethylpentane (TMP, isooctane), a volatile organic solvent[1] is used to improve the octane rating of combustion fuels.[2] TMP is a primary reference fuel with an arbitrary octane number of 100 as it burns smoothly without resulting in any knocking.[3] It also a component of gasoline.[1] The physical characteristics of the binary mixtures of n-heptane and 2,2,4-trimethylpentane has been studied that helps in understanding the combustion process of mixtures of primary reference fuels.[4]

Application

2,2,4-Trimethylpentane (TMP, isooctane) may be used in the following studies:

• Synthesis of polyethyleneimine /silica hybrid nanoparticles.[5]
• Amino acid quantification process.[6]
• To dissolve di(2-ethylhexyl) phosphoric acid(DEHPA) to form a solution that is used in the extraction and back extraction of methylene blue.[7]

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