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2,2,4-Trimethylpentane, ACS, 99+%

Catalog No. AA31787AP
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Catalog No. AA31787AP Supplier Thermo Scientific Chemicals Supplier No. 031787AP
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CAS: 540-84-1 | C8H18 | 114.232 g/mol

Solvent, thinner, in determination of fuel octane numbers2,2,4-Trimethylpentane is used as a solvent in spectrophotometric analysis and organic synthesis. Due to its high antiknock octane number, it is widely employed as a standard reference fuel for octane ratings. It acts as an entrainer in azeotropic distillation as well as a thinner. It is involved as a processing aid in the petroleum industry.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Chemical Identifiers

CAS 540-84-1
Molecular Formula C8H18
Molecular Weight (g/mol) 114.232
MDL Number MFCD00008943
InChI Key NHTMVDHEPJAVLT-UHFFFAOYSA-N
Synonym isooctane, isobutyltrimethylmethane, pentane, 2,2,4-trimethyl, iso-octane, 2,4,4-trimethylpentane, unii-qab8f5669o, ch3 2chch2c ch3 3, 2, 2, 4-trimethylpentane, i-octane, isobutyltrimethylethane
PubChem CID 10907
ChEBI CHEBI:62805
IUPAC Name 2,2,4-trimethylpentane
SMILES CC(C)CC(C)(C)C

Specifications

Melting Point -107°C
Color Colorless
Density 0.692
Boiling Point 98°C to 99°C
Flash Point -7°C (19°F)
Odor Nearly Odorless
Assay Percent Range >99%
Refractive Index 1.391
Quantity 500 mL
UN Number 1262
Beilstein 1696876
Solubility Information Soluble in benzene,toluene,xylene,chloroform,ether,CS2,CCl4,and DMF. Miscible with benzene,toluene,xylene,chloroform,ether,carbon disulfide,carbon tetrachloride,acetone,heptane and oils. Immiscible with water.
Vapor Pressure 15 hPa (11mm Hg) at 20°C
Formula Weight 114.23
Grade ACS
Physical Form Liquid
Chemical Name or Material 2, 2, 4-Trimethylpentane
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Hazard Category H225-H304-H315-H319-H336
Precautionary Statement P210-P233-P235-P240-P241-P242-P243-P260-P264b-P271-P280-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P312-P314-P331-P332+P313-P363-P370+P378q-P501c
DOTInformation DOT Class: 3; Packing Group: II
EINECSNumber 208-759-1
RTECSNumber SA3320000
TSCA Yes
Recommended Storage Ambient temperatures

RUO – Research Use Only