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Isooctane

Isooctane

Isooctane, or 2,2,4-trimethylpentane, is a toxic, flammable, volatile, organic alkane, and an isomer of octane. Available in various quantities and reagent grades, it is an anti-knocking agent in gasoline. Other applications include use as a non-polar solvent.

Isooctane (or iso-octane), also widely known by its IUPAC name 2,2,4-trimethylpentane, C8H18, or CAS 540-84-1, is an organic hydrocarbon alkane and an isomeric form of octane. Structurally, it consists of pentane with two methyl groups at position 2, and a single methyl group at position 4. It is a clear, colorless, volatile liquid, immiscible with water, with a petrol-like odor. Physical data: boiling point 99.3°C; density 0.69g/cm³; melting point −107.3°C.

Uses of Isooctane
• As a general-purpose solvent, thinner, cleaner, and degreaser
• As a component in organic synthesis in the chemistry laboratory
• As a solvent in spectrophotometric analysis
• As a solvent in trace pesticide and herbicide residue analysis
• As a solvent in HPLC

Novel applications include use as an embedding fluid in tissue fixation and histology, while wider industrial applications include use in the manufacture of anti-freezes, coatings, fillers, plasters, clays, paints, lubricants, and biocides.

This product is available in a wide range of grades for specific applications, for example, extra pure/extra-dry for analysis, LC/MS, and HPLC.

Isooctane is a highly flammable liquid, harmful if inhaled, and toxic if released into the environment. Storage in a cool, secure location is therefore recommended. When using this product, the information and advice given in the Safety Data Sheet should be observed. Due attention should also be given to the appropriate precautions necessary for handling chemicals.

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1

Isooctane, Optima™ for HPLC and GC, Fisher Chemical™

CAS: 540-84-1 Molecular Formula: C8H18 Molecular Weight (g/mol): 114.232 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

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PubChem CID 10907
CAS 540-84-1
Molecular Weight (g/mol) 114.232
ChEBI CHEBI:62805
SMILES CC(C)CC(C)(C)C
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
IUPAC Name 2,2,4-trimethylpentane
InChI Key NHTMVDHEPJAVLT-UHFFFAOYSA-N
Molecular Formula C8H18
2

2,2,4-Trimethylpentane, 99+%, pure, Thermo Scientific Chemicals

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

PubChem CID 10907
CAS 540-84-1
Molecular Weight (g/mol) 114.232
ChEBI CHEBI:62805
MDL Number MFCD00008943
SMILES CC(C)CC(C)(C)C
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
IUPAC Name 2,2,4-trimethylpentane
InChI Key NHTMVDHEPJAVLT-UHFFFAOYSA-N
Molecular Formula C8H18
3

2,2,4-Trimethylpentane, Certified AR for Analysis, Fisher Chemical™

CAS: 540-84-1 Molecular Formula: C8H18 Molecular Weight (g/mol): 114.232 MDL Number: 8943 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

PubChem CID 10907
CAS 540-84-1
Molecular Weight (g/mol) 114.232
ChEBI CHEBI:62805
MDL Number 8943
SMILES CC(C)CC(C)(C)C
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
IUPAC Name 2,2,4-trimethylpentane
InChI Key NHTMVDHEPJAVLT-UHFFFAOYSA-N
Molecular Formula C8H18
4

2,2,4-Trimethylpentane, 99%, for spectroscopy, Thermo Scientific Chemicals

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

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PubChem CID 10907
CAS 540-84-1
Molecular Weight (g/mol) 114.232
ChEBI CHEBI:62805
MDL Number MFCD00008943
SMILES CC(C)CC(C)(C)C
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
IUPAC Name 2,2,4-trimethylpentane
InChI Key NHTMVDHEPJAVLT-UHFFFAOYSA-N
Molecular Formula C8H18
5

2,2,4-Trimethylpentane, 99.5%, for residue analysis, ECD tested for pesticide analysis, Thermo Scientific Chemicals

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

Promotions are available
PubChem CID 10907
CAS 540-84-1
Molecular Weight (g/mol) 114.232
ChEBI CHEBI:62805
MDL Number MFCD00008943
SMILES CC(C)CC(C)(C)C
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
IUPAC Name 2,2,4-trimethylpentane
InChI Key NHTMVDHEPJAVLT-UHFFFAOYSA-N
Molecular Formula C8H18
6

2,2,4-Trimethylpentane, 99+%, Thermo Scientific Chemicals

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

PubChem CID 10907
CAS 540-84-1
Molecular Weight (g/mol) 114.232
ChEBI CHEBI:62805
MDL Number MFCD00008943
SMILES CC(C)CC(C)(C)C
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
IUPAC Name 2,2,4-trimethylpentane
InChI Key NHTMVDHEPJAVLT-UHFFFAOYSA-N
Molecular Formula C8H18
7

2,2,4-Trimethylpentane, for HPLC, Fisher Chemical™

CAS: 540-84-1 Molecular Formula: C8H18 Molecular Weight (g/mol): 114.232 MDL Number: 8943 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

PubChem CID 10907
CAS 540-84-1
Molecular Weight (g/mol) 114.232
ChEBI CHEBI:62805
MDL Number 8943
SMILES CC(C)CC(C)(C)C
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
IUPAC Name 2,2,4-trimethylpentane
InChI Key NHTMVDHEPJAVLT-UHFFFAOYSA-N
Molecular Formula C8H18
8

2,2,4-Trimethylpentane, 99.5%, for analysis, Thermo Scientific Chemicals

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

Promotions are available
PubChem CID 10907
CAS 540-84-1
Molecular Weight (g/mol) 114.232
ChEBI CHEBI:62805
MDL Number MFCD00008943
SMILES CC(C)CC(C)(C)C
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
IUPAC Name 2,2,4-trimethylpentane
InChI Key NHTMVDHEPJAVLT-UHFFFAOYSA-N
Molecular Formula C8H18
9

2,2,4-Trimethylpentane 95+%, for Residue Analysis, Distol™, Fisher Chemical™

CAS: 540-84-1 Molecular Formula: C8H18 Molecular Weight (g/mol): 114.232 MDL Number: 8943 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

Promotions are available
PubChem CID 10907
CAS 540-84-1
Molecular Weight (g/mol) 114.232
ChEBI CHEBI:62805
MDL Number 8943
SMILES CC(C)CC(C)(C)C
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
IUPAC Name 2,2,4-trimethylpentane
InChI Key NHTMVDHEPJAVLT-UHFFFAOYSA-N
Molecular Formula C8H18
10

2,2,4-Trimethylpentane, 99.5%, Thermo Scientific Chemicals

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

Promotions are available
PubChem CID 10907
CAS 540-84-1
Molecular Weight (g/mol) 114.232
ChEBI CHEBI:62805
MDL Number MFCD00008943
SMILES CC(C)CC(C)(C)C
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
IUPAC Name 2,2,4-trimethylpentane
InChI Key NHTMVDHEPJAVLT-UHFFFAOYSA-N
Molecular Formula C8H18
11

2,2,4-Trimethylpentane, 99.5%, Extra Dry, AcroSeal™, Thermo Scientific Chemicals

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

Promotions are available
PubChem CID 10907
CAS 540-84-1
Molecular Weight (g/mol) 114.232
ChEBI CHEBI:62805
MDL Number MFCD00008943
SMILES CC(C)CC(C)(C)C
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
IUPAC Name 2,2,4-trimethylpentane
InChI Key NHTMVDHEPJAVLT-UHFFFAOYSA-N
Molecular Formula C8H18
12

2,2,4-Trimethylpentane, 99.5%, Extra Dry over Molecular Sieve, AcroSeal™, Thermo Scientific Chemicals

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

PubChem CID 10907
CAS 540-84-1
Molecular Weight (g/mol) 114.232
ChEBI CHEBI:62805
MDL Number MFCD00008943
SMILES CC(C)CC(C)(C)C
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
IUPAC Name 2,2,4-trimethylpentane
InChI Key NHTMVDHEPJAVLT-UHFFFAOYSA-N
Molecular Formula C8H18
13

2,2,4-Trimethylpentane, Reagent ACS, Spectro Grade, +99%, Thermo Scientific Chemicals

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

PubChem CID 10907
CAS 540-84-1
Molecular Weight (g/mol) 114.232
ChEBI CHEBI:62805
MDL Number MFCD00008943
SMILES CC(C)CC(C)(C)C
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
IUPAC Name 2,2,4-trimethylpentane
InChI Key NHTMVDHEPJAVLT-UHFFFAOYSA-N
Molecular Formula C8H18
14

2,2,4-Trimethylpentane, Extra Pure, SLR, Fisher Chemical™

CAS: 540-84-1 Molecular Formula: C8H18 Molecular Weight (g/mol): 114.232 MDL Number: 8943 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

PubChem CID 10907
CAS 540-84-1
Molecular Weight (g/mol) 114.232
ChEBI CHEBI:62805
MDL Number 8943
SMILES CC(C)CC(C)(C)C
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
IUPAC Name 2,2,4-trimethylpentane
InChI Key NHTMVDHEPJAVLT-UHFFFAOYSA-N
Molecular Formula C8H18