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Merck

258776

2,2,4-Trimethylpentane

ReagentPlus®, ≥99%

Synonym(s):

Isooctane

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About This Item

Linear Formula:
(CH3)2CHCH2C(CH3)3
CAS Number:
540-84-1
Molecular Weight:
114.23
UNSPSC Code:
12191502
NACRES:
NA.21
PubChem Substance ID:
329752832
EC Number:
208-759-1
Beilstein/REAXYS Number:
1696876
MDL number:
MFCD00008943
assay:
≥99%
bp:
98-99 °C (lit.)
vapor pressure:
41 mmHg ( 21 °C)

Product Name

2,2,4-Trimethylpentane, ReagentPlus®, ≥99%

InChI

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

InChI key

NHTMVDHEPJAVLT-UHFFFAOYSA-N

SMILES string

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

vapor density

3.9 (vs air)

vapor pressure

41 mmHg ( 21 °C)

product line

ReagentPlus®

assay

≥99%

form

liquid

autoignition temp.

745 °F

expl. lim.

6 %

dilution

(for general lab use)

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.)

Quality Level

100

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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.

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.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

signalword

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

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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Certificates of Analysis (COA)

Lot/Batch Number
SDBB6887
SDBB5432
SDBB4426
SDBB2218
STBL1836

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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
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)
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
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)
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