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32291

Sigma-Aldrich

2,2,4-Trimethylpentane

puriss. p.a., ≥99.5% (GC)

Synonym(s):

Isooctane

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About This Item

Linear Formula:
(CH3)2CHCH2C(CH3)3
CAS Number:
Molecular Weight:
114.23
Beilstein:
1696876
EC Number:
MDL number:
UNSPSC Code:
12191502
PubChem Substance ID:
NACRES:
NA.21

vapor density

3.9 (vs air)

vapor pressure

41 mmHg ( 21 °C)

grade

puriss. p.a.

Assay

≥99.5% (GC)

form

liquid

autoignition temp.

745 °F

expl. lim.

6 %

impurities

≤0.0005% free acid (as CH3COOH)
≤0.001% non-volatile matter
≤0.005% S-compounds (as S)
≤0.01% water (Karl Fischer)

refractive index

n20/D 1.391 (lit.)
n20/D 1.3915-1.3925

bp

98-99 °C (lit.)

mp

−107 °C (lit.)

density

0.692 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg
B: ≤0.02 mg/kg
Ba: ≤0.1 mg/kg
Ca: ≤0.5 mg/kg
Cd: ≤0.05 mg/kg
Co: ≤0.02 mg/kg
Cr: ≤0.02 mg/kg
Cu: ≤0.02 mg/kg
Fe: ≤0.1 mg/kg
Mg: ≤0.1 mg/kg
Mn: ≤0.02 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sn: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

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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General description

2,2,4-Trimethylpentane (TMP, isooctane) is a saturated, branched hydrocarbon. It has been reported to be nephrotoxic to male rats. Density and viscosity of TMP at various temperatures (198K - 348K) and pressures (100MPa) has been evaluated. It has been identified as nephrotoxicity inducing component in unleaded gasoline.

Application

2,2,4-Trimethylpentane (TMP, isooctane) may be used to evaluate various physical properties (densities, viscosities, refractive indexes and surface tensions) of the binary mixtures of TMP and cyclohexane.

Other Notes

The article number 32291-4X2.5L will be discontinued. Please order the single bottle 32291-2.5L which is physically identical with the same exact specifications.
The article number 32291-4X2.5L-M will be discontinued. Please order the single bottle 32291-2.5L-M which is physically identical with the same exact specifications.
Pertains only in Germany: unversteuert

Signal Word

Danger

Hazard Statements

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


Certificates of Analysis (COA)

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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
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)
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)
Yufeng Zhang et al.
Journal of chromatography. A, 1252, 67-73 (2012-07-10)
In this study, a polyethylene Pasteur pipette-based ultrasound-assisted emulsification microextraction (USAEME) applying low-density organic solvent was successfully developed for the extraction of trace levels of organochlorine pesticides (OCPs) in water samples and followed by gas chromatography-mass spectrometry (GC-MS) analysis. In

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