Solvents - Aliphatic Available — Bulk Only

Isooctane (2,2,4-Trimethylpentane)

Isooctane
CAS 540-84-1 · Formula C8H18 · MW 114.23 g/mol

The branched C8 paraffin that defines 100 on the octane scale, a reference-grade hydrocarbon for fuel testing and spectroscopy. It is used as a reference standard in fuel octane-number testing and in spectrophotometric analysis, and as a high-purity solvent, thinner, and chemical intermediate.

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UN Number
UN 1262
Hazard Class
Class 3
HS Code
2901.10
At a Glance
Material Family
Solvents - Aliphatic
Record Type
Pure compound
Primary Role
Solvency
Solubility
PRACTICALLY INSOL IN WATER; SOMEWHAT SOL IN ABS ALC; SOL IN BENZENE, TOLUENE, XYLENE, CHLOROFORM, ETHER, CARBON DISULFIDE, CARBON TETRACHLORIDE, DMF & OILS, EXCEPT CASTOR OIL
Functional Roles
ISOOCTANE
SOLVENT
Applications & Use Cases
  • Octane reference: 100-octane standard in fuel octane-number testing.
  • Spectroscopy solvent: UV/spectrophotometric analysis solvent.
  • Solvent/thinner: Nonpolar process solvent and thinner.
  • Chemical intermediate: Feedstock in organic synthesis.
Physical Properties
Melting Point
-107.45 °C
Boiling Point
99.238 °C
Density
0.69194 @ 20 °C/4 °C
Solubility
PRACTICALLY INSOL IN WATER; SOMEWHAT SOL IN ABS ALC; SOL IN BENZENE, TOLUENE, XYLENE, CHLOROFORM, ETHER, CARBON DISULFIDE, CARBON TETRACHLORIDE, DMF & OILS, EXCEPT CASTOR OIL
Vapor Pressure
49.3
Flash Point
-12 °C
Safety & Handling
Full SDS available on request

A grade-specific Safety Data Sheet (SDS) — with the complete hazard classification, handling precautions, and transport information — is supplied with every shipment and available on request. Confirm all safety and regulatory details against the SDS for your specific grade.

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DOT / UN Transport Classification
DOT hazard class 3 placard
UN / DOT NumberUN 1262
Hazard Class / DivisionClass 3
Packing GroupII
Proper Shipping NameOctanes

Transport classification per the UN Model Regulations / 49 CFR 172.101 Hazardous Materials Table. Confirm against the grade-specific SDS (Section 14) before shipping.

HS / Tariff Classification
Harmonized System (HS) Code — 6-digit international heading
2901 . 10
Chapter 29
Organic chemicals
Heading 29.01
Internationally harmonized (WCO HS)
Subheading 2901.10
6-digit international code — national tariff line adds further digits
Chemical Identity
CAS Number
540-84-1
Molecular Formula
C8H18
Molecular Weight
114.23 g/mol
IUPAC Name
2,2,4-trimethylpentane
INCI Name
ISOOCTANE
PubChem CID
InChI Key
NHTMVDHEPJAVLT-UHFFFAOYSA-N
Synonyms & Trade Names
2,2,4-Trimethylpentane Pentane, 2,2,4-trimethyl- ISO-OCTANE Isobutyltrimethylethane AI3-23976 ISO-OCTANE [HSDB] UN 1262 Isooctane
Full Description

Isooctane (CAS 540-84-1), the hydrocarbon 2,2,4-trimethylpentane, is the 100-point anchor of the octane-rating scale. It is used as a reference standard in fuel octane-number testing and in spectrophotometric analysis, and as a high-purity solvent, thinner, and chemical intermediate.

Frequently Asked Questions

What is 2,2,4-trimethylpentane used for?

2,2,4-Trimethylpentane (isooctane, CAS 540-84-1) is the 100-point anchor of the octane-rating scale. It is used as a reference standard in fuel octane-number testing, as a solvent in UV/spectrophotometric analysis, as a high-purity nonpolar solvent and thinner, and as a chemical intermediate. RawSource supplies it in bulk to labs and manufacturers.

What is the common name for 2,2,4-trimethylpentane?

Its common name is isooctane. The name reflects its role as the 100-octane reference fuel; chemically it is the branched C8 alkane 2,2,4-trimethylpentane, CAS 540-84-1, formula C8H18.

What grades of isooctane does RawSource supply?

Isooctane is available in reference/spectrophotometric and high-purity solvent grades; specify whether you need it as an octane-number reference standard or as a process solvent so the correct purity and CoA are matched. Confirm the exact specification when ordering.

What is the cost of bulk isooctane?

Isooctane pricing is volume- and grade-dependent (reference-grade purity costs more than solvent grade), so we do not list a fixed price. Send your quantity, grade, and packaging needs for a current bulk quote; CoA and SDS accompany shipment.

What UN number and HS code apply to isooctane?

Isooctane is assigned UN 1262 and ships as a flammable liquid per DOT/IMDG/IATA rules; it classifies under HS 2901.10 (saturated acyclic hydrocarbons). RawSource ships it compliantly in bulk with SDS and CoA. Confirm DOT and tariff details before arranging freight.

Disclaimer. Information on this page — including properties, identifiers, hazard, transport (DOT/UN) and tariff (HS) classifications, and applications — is provided for general reference and is compiled from authoritative public sources (e.g. PubChem/ECHA, 49 CFR 172.101, the Harmonized Tariff Schedule). Values are typical and are not a guaranteed specification; the Certificate of Analysis (CoA) for the lot purchased governs. Products are sold for industrial and professional use only. Nothing here is a medical, health, or efficacy claim or advice. Always consult the current Safety Data Sheet (SDS) before handling, storage, transport or disposal, and confirm regulatory status, classification and suitability for your application and jurisdiction. Hazard, transport and tariff classifications must be verified for your specific shipment. RawSource makes no warranty, express or implied, and assumes no liability for use of this information. Trademarks. Third-party trademarks and brand names are the property of their respective owners; any reference is nominative — used only to identify a comparable product — and does not imply affiliation with, sponsorship by, or endorsement by the trademark owner.