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:
Molecular Weight:
114.23
UNSPSC Code:
12191502
NACRES:
NA.21
PubChem Substance ID:
EC Number:
208-759-1
Beilstein/REAXYS Number:
1696876
MDL number:
Assay:
≥99%
Bp:
98-99 °C (lit.)
Vapor pressure:
41 mmHg ( 21 °C)
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 %
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.)
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
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 Merck KGaA, Darmstadt, Germany
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Danger
hcodes
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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Quality Prediction from Hydroprocessing through Infrared Spectroscopy (IR).
Orrego-Ruiz JA, et al.
Energy and Fuels, 26(1), 586-593 (2011)
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)
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