Molekula
Isooctane
Supplying 4,500+ customers in over 80 countries
ISO 9001:2015 & ISO 14001:2015 certified · Supplying laboratories and industry since 2000 · Listed pack sizes are a starting point — we manufacture, source and repack to the quantity you need
Isooctane is a branched-chain hydrocarbon used primarily as a standard reference fuel in determining octane ratings of gasoline. It is also employed in laboratory applications as a solvent and calibration standard. Available in high purity, it has a CAS number of 540-84-1, molecular formula C8H18, and molecular weight of 114.23 g/mol. Stored at ambient temperatures, it is classified as a dangerous substance. Molekula supplies Isooctane from research to bulk quantities with full documentation and ISO 9001:2015 traceability.
Example image for illustration only. Other packaging and pack sizes are available.
Pricing & pack sizes
These pack sizes aren't a limit. Molekula manufactures, sources and repacks to order — if you need 500 kg and only see 1 kg listed, . We quote from grams to multi-tonne.
Need a different size? Add the nearest pack and change the size in your basket — we price it at the same rate per unit.
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2.5 L — £89.50 per pack ex VAT · £107.40 inc. VAT
Need a different quantity or pack?
Tell us how much you need and when — drums, IBCs, sacks or a one-off bulk lot. We'll manufacture or source it and come back with a price.
Prices exclude VAT/sales tax and shipping.
Specifications
| Property | Value |
|---|---|
| Appearance | Clear colourless liquid |
| Assay | ≥ 99.75% (V) |
| Lead (Pb) | ≤ 0.5 mg/l |
| Heptane | ≤ 0.10% (V) |
| Density (15°C) | 694-698 kg/m3 |
Storage & handling
| Property | Value |
|---|---|
| Storage Temperature | Ambient |
| Flash Point | -12 °C |
| Transport Class | 3 |
| Packing Group | II |
| Acidity | Acid |
Literature values
Published physical properties of the substance, not batch specifications.
| Property | Value |
|---|---|
| Appearance | Mobile liquid |
| Odour | Odor of gasoline |
| Melting Point | -107 °C |
| Boiling Point | 99.24 °C |
| Density | 0.69 (relative, water = 1) |
| Vapour Pressure | 5.1 kPa at 20 °C |
| Refractive Index | 1.39157 |
Source: PubChem CID 10907 (HSDB, ICSC)
Identification
| Property | Value |
|---|---|
| SKU | 90035719 |
| CAS Number | 540-84-1 |
| IUPAC Name | 2,2,4-trimethylpentane |
| EC Number | 208-759-1 |
| Molecular Formula | C8H18 |
| Molecular Weight | 114.23 |
| Exact Mass | 114.1409 |
| SMILES | CC(C)CC(C)(C)C |
| InChIKey | NHTMVDHEPJAVLT-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3 |
| PubChem CID | 10907 |
| UN Number | UN1262 |
| REACH Code | Y110 |
| TSCA Listed | Yes |
| HTS Code | 2901.10.4000 |
| Tariff Code | 2901100000 |
Safety & GHS
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Flammable
GHS02
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Health Hazard
GHS07
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Serious Health Hazard
GHS08
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Hazardous to the Environment
GHS09
Hazard statements
- H225 Highly flammable liquid and vapour
- H304 May be fatal if swallowed and enters airways
- H315 Causes skin irritation
- H336 May cause drowsiness or dizziness
- H400 Very toxic to aquatic life
- H410 Very toxic to aquatic life with long lasting effects
Precautionary statements
- P210 Keep away from heat/sparks/open flames/hot surfaces - No smoking
- P233 Keep container tightly closed
- P273 Avoid release to the environment
- P301+330 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting
- P303+361 IF ON SKIN (or hair): Remove immediately all contaminated clothing. Rinse with water/shower
- P403+233 Store in a well ventilated place. Keep container tightly closed
Documents
Safety Data Sheets (SDS)
Available in English, French, German, Italian, Spanish.
Certificate of Analysis (CoA) by batch
Enter a lot or batch number to retrieve the CoA for that specific batch. We can generate one from spec data if no PDF is on file.
Synonyms
- 2,2,4-Trimethylpentane
- 2,2,4-trimethylpentane (tmp)
- 2,4,4Trimethylpentane
- Isobutyltrimethylethane
- NHTMVDHEPJAVLT-UHFFFAOYSA-N
- Pentane, 2,2,4-trimethyl-
- Trimethylpentane
- UN 1262
Frequently asked questions
What is isooctane used for?
Isooctane is primarily used as a reference fuel in determining the octane rating of gasoline.
What is the chemical formula and molecular weight of isooctane?
The formula is C8H18 and the molecular weight is 114.23 g/mol.
How should isooctane be stored?
Isooctane should be stored at ambient temperature, away from heat and ignition sources.
What grade of isooctane does Molekula supply?
Molekula supplies isooctane in reagent grade.
Can Molekula supply isooctane in bulk?
Yes, Molekula can supply isooctane in bulk quantities upon request.
What documentation comes with an order of isooctane?
Each order includes a Certificate of Analysis and Safety Data Sheet (SDS).
Ready to order or need a custom pack?
Tell us the product, grade, and quantity — Molekula usually responds within one working day with pricing and lead time.