
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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Filtered Search Results

2,2,4-Trimethylpentane, 99.5%, Extra Dry over Molecular Sieve, AcroSeal™
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 |
2,2,4-Trimethylpentane, 95.0%, MilliporeSigma™
CAS: 540-84-1 Molecular Formula: C8H18 Molecular Weight (g/mol): 114.23 InChI Key: NHTMVDHEPJAVLT-UHFFFAOYSA-N IUPAC Name: 2,2,4-trimethylpentane SMILES: CC(C)CC(C)(C)C
CAS | 540-84-1 |
---|---|
Molecular Weight (g/mol) | 114.23 |
SMILES | CC(C)CC(C)(C)C |
IUPAC Name | 2,2,4-trimethylpentane |
InChI Key | NHTMVDHEPJAVLT-UHFFFAOYSA-N |
Molecular Formula | C8H18 |
2,2,4-Trimethylpentane 99.0+%, TCI America™
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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 |
2,2,4-Trimethylpentane 99.0+%, TCI America™
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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 |
2,2,4-Trimethylpentane 99.0+%, TCI America™
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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 |
Buehler RELEASE AGENT 32 OZ
Release Agent, 32ozContains Isooctane CAS #540-84-1

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Sigma Aldrich Fine Chemicals Biosciences 2,2,4-Trimethylpentane | 540-84-1 | MFCD00008943 | 100ml
2,2,4-Trimethylpentane | Purity: 99% | Mol Wt: 114.23 | 540-84-1 | MFCD00008943 | 100ml

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Chempoint Com PRF Isooctane, 313 lb Drum
PRF Isooctane, 313 lb Drum.

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C3 FUELS PRF ISO OCTANE 55 GALLON
NC1432449 PRF ISO OCTANE 55 GALLON

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Aqua Solutions Isooctane Primary Reference Fuel ASTM D 2699 and D 2700 (20L)
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Isooctane Primary Reference Fuel ASTM D 2699 and D 2700 (20L)

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AQUA SOLUTIONS TRIMETHYLPENTANE ISO OCTANE
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NC2606226 TRIMETHYLPENTANE ISO OCTANE

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Jade Scientific, Inc ISO-OCTANE LABORATORY PLUS 19L
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Iso-octane Laboratory Plus 19l. 540-84-1 MFCD00008943

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Aqua Solutions SULFUR STD 100 PPM W/V IN ISOC
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Sulfur Standard 100 ppm w/v in Isooctane 250mL

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