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
Regulatory Information
危险化学品
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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)
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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 258776-1L | 04061826062289 |
| 258776-18L-CS | 04061837714016 |
| 258776-2.5L | 04061826069547 |
| 258776-20L | 04061826069554 |
| 258776-500ML | 04061826069561 |