2,2,4-Trimethylpentane CAS#540-84-1

2,2,4-Trimethylpentane CAS#540-84-1

2,2,4-Trimethylpentane CAS#540-84-1

Excellent Anti-Knock Performance: 2,2,4-Trimethylpentane (isooctane) has an octane rating of 100, making it an important standard anti-knock agent for gasoline applications.


High-Octane Gasoline Additive: With its high octane rating, isooctane is widely used as a gasoline additive to improve fuel performance.


Reliable Octane Reference Standard:Isooctane serves as a reference substance for determining and evaluating gasoline octane ratings.


Good Organic Solubility: Isooctane is insoluble in water but readily soluble in organic solvents such as diethyl ether, benzene, and acetone, supporting its use in various chemical applications.

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Product Description

Product Description-2,2,4-Trimethylpentane CAS#540-84-1


2,2,4-Trimethylpentane (isooctane, CAS:540-84-1, formula C₈H₁₈) is a standard antiknock reagent rated at octane number 100. Its melting point is −107.4°C and boiling point ranges 98–99°C.


It is a colorless liquid widely adopted as a gasoline additive and reference material for gasoline octane testing. Insoluble in water, it dissolves in organic solvents such as diethyl ether, benzene and acetone.

Product Applications-2,2,4-Trimethylpentane CAS#540-84-1


2,2,4-Trimethylpentane is the standard fuel to test gasoline octane rating (antiknock property). It acts as an additive for automobile and aviation gasoline, and also functions as a non-polar inert solvent in organic synthesis.

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Product Data

Chemical Properties-2,2,4-Trimethylpentane CAS#540-84-1



Melting point

-107 °C

Boiling point

98-99 °C(lit.)

density

0.692 g/mL at 25 °C(lit.)

vapor density

3.9 (vs air)

vapor pressure

41 mm Hg ( 21 °C)

refractive index

n20/D 1.391(lit.)

Fp

18 °F

storage temp.

Store at +5°C to +30°C.

solubility

water: insoluble

form

Liquid

pka

>14 (Schwarzenbach et al., 1993)

Specific Gravity

0.692 (20/4℃)

color

APHA: ≤10

Relative polarity

-0.4

explosive limit

1%(V)

Odor Threshold

0.11ppm

Water Solubility

INSOLUBLE

FreezingPoint

-107.52℃

λmax

λ: 205 nm Amax: 1.00

λ: 225 nm Amax: 0.10

λ: 254 nm Amax: 0.01

Merck

145193

BRN

1696876

Henry's Law Constant

3.23 at 25 °C (Mackay and Shiu, 1981)

Exposure limits

ACGIH TLV: TWA for all isomers 300 ppm (adopted).

Dielectric constant

2.1(Ambient)

Stability:

Stable. Highly flammable. Incompatible with oxidizing agents, reducing agents.

LogP

4.373 (est)

CAS DataBase Reference

540-84-1(CAS DataBase Reference)

NIST Chemistry Reference

Pentane, 2,2,4-trimethyl-(540-84-1)

EPA Substance Registry System

2,2,4-Trimethylpentane (540-84-1)



Safety Information-2,2,4-Trimethylpentane CAS#540-84-1



Hazard Codes

F,Xn,N

Risk Statements

11-38-50/53-65-67

Safety Statements

9-16-29-33-60-61-62

RIDADR

UN 1262 3/PG 2

WGK Germany

1

RTECS

SA3320000

Autoignition Temperature

745 °F

TSCA

Yes

HS Code

2901 10 00

HazardClass

3

PackingGroup

II

Hazardous Substances Data

540-84-1(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: > 2500 mg/kg


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