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258776

Sigma-Aldrich

2,2,4-Trimethylpentane

ReagentPlus®, ≥99%

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Synonym(s):
Isooctane
Linear Formula:
(CH3)2CHCH2C(CH3)3
CAS Number:
Molecular Weight:
114.23
Beilstein:
1696876
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

vapor density

3.9 (vs air)

Quality Level

vapor pressure

41 mmHg ( 21 °C)

product line

ReagentPlus®

Assay

≥99%

form

liquid

autoignition temp.

745 °F

expl. lim.

6 %

refractive index

n20/D 1.391 (lit.)

bp

98-99 °C (lit.)

mp

−107 °C (lit.)

density

0.692 g/mL at 25 °C (lit.)

SMILES string

CC(C)CC(C)(C)C

InChI

1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3

InChI key

NHTMVDHEPJAVLT-UHFFFAOYSA-N

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This Item
TX139032291360066
2,2,4-Trimethylpentane Meets ACS Specifications, Meets Reagent Specifications for testing USP/NF monographs GR ACS

Supelco

TX1390

2,2,4-Trimethylpentane

2,2,4-Trimethylpentane puriss. p.a., ≥99.5% (GC)

Sigma-Aldrich

32291

2,2,4-Trimethylpentane

vapor pressure

41 mmHg ( 21 °C)

vapor pressure

41 mmHg ( 21 °C)

vapor pressure

41 mmHg ( 21 °C)

vapor pressure

41 mmHg ( 21 °C)

assay

≥99%

assay

≥99% (GC)

assay

≥99.5% (GC)

assay

99.8%

form

liquid

form

liquid

form

liquid

form

liquid

autoignition temp.

745 °F

autoignition temp.

745 °F

autoignition temp.

745 °F

autoignition temp.

745 °F

expl. lim.

6 %

expl. lim.

6 %

expl. lim.

6 %

expl. lim.

6 %

General description

2,2,4-Trimethylpentane (TMP, isooctane) is a saturated, branched hydrocarbon. It is a water-insoluble compound. Isooctane is used in gasoline and aviation fuel to increase the octane level or provide antiknock properties. Additionally, it is used as a solvent, thinner, and in organic synthesis.

Application

2,2,4-Trimethylpentane is used:
  • In the binary mixture (ethane + 2,2,4-trimethylpentane), to analyses the solubility of ethane using static–synthetic apparatus.

Legal Information

ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Signal Word

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

10.4 °F - closed cup

Flash Point(C)

-12 °C - closed cup


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Quality Prediction from Hydroprocessing through Infrared Spectroscopy (IR).
Orrego-Ruiz JA, et al.
Energy and Fuels, 26(1), 586-593 (2011)
B G Short et al.
Toxicologic pathology, 14(2), 194-203 (1986-01-01)
Unleaded gasoline causes acute and chronic nephrotoxicity and renal tumors in male rats, but not female rats or mice of either sex. An active nephrotoxic component of unleaded gasoline has been identified as 2,2,4-trimethylpentane (TMP). The first objective of this
Density and viscosity measurements of 2, 2, 4-trimethylpentane (isooctane) from 198 K to 348 K and up to 100 MPa.
Padua AAH, et al.
Journal of Chemical and Engineering Data, 41(6), 1488-1494 (1996)
E A Lock et al.
Toxicology and applied pharmacology, 91(2), 182-192 (1987-11-01)
Trimethylpentane (TMP) produces nephrotoxicity in male but not in female rats. The toxicity is characterized by an increase in protein droplets in proximal convoluted tubular cells and an increase in the renal concentration of the male-rat-specific protein alpha 2u-globulin. Subcellular
Physicochemical properties of liquid mixtures. 1. Viscosity, density, surface tension and refractive index of cyclohexane+ 2, 2, 4-trimethylpentane binary liquid systems from 25 C to 50 ?C.
Gomez-Diaz D, et al.
Journal of Chemical and Engineering Data, 46(3), 720-724 (2001)

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