Molekula
Isooctane 99%
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 (C8H18) is a highly branched aliphatic hydrocarbon with a purity of 99%, widely used as a solvent, calibration standard in chromatography, and reference fuel in octane rating tests. It is also employed in laboratory applications requiring a non-polar, low-viscosity solvent. This product has a CAS number of 540-84-1 and a molecular weight of 114.23 g/mol. It is stored at ambient conditions and carries a **Danger** signal word due to its flammability and potential health hazards. Molekula supplies Isooctane 99% 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
Pack sizes & pricing
Pricing on request — packs available from research to bulk quantities.
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 and colourless liquid |
| Density | 694-698 kg/m3 (15°C) |
| Water | ≤100mg/kg |
| Assay | ≥ 99.00% (V) |
| Non-Volatile Matter | ≤1.0mg |
| Aromatics | ≤50mg/kg |
| Acid Wash Colour | 0 |
| Identification (RAMAN) | Conforms to Reference |
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 | 90035940 |
| 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
-
Flammable
GHS02
-
Health Hazard
GHS07
-
Serious Health Hazard
GHS08
-
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 99% commonly used for?
Isooctane 99% is primarily used as a solvent in laboratories, a calibration standard for gas chromatographs, and as a component in fuel blends and octane boosters.
What is the chemical formula and molecular weight of isooctane?
The chemical formula is **C₈H₁₈**, and the molecular weight is **114.23 g/mol**.
How should isooctane 99% be stored?
Store in a tightly sealed container at **ambient temperature**, away from ignition sources, oxidizing agents, and direct sunlight.
What grade of isooctane 99% does Molekula supply?
Molekula supplies **analytical grade (99% purity)** isooctane, suitable for high-precision applications like chromatography.
Can Molekula supply isooctane in bulk quantities?
Yes, we offer isooctane in bulk, with quantities tailored to your requirements—please contact us for pricing and availability.
What documentation comes with an order of isooctane 99%?
Each order includes a **Certificate of Analysis (CoA)**, Safety Data Sheet (SDS), and a product specification sheet detailing purity and quality controls.
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.