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34862-M

Sigma-Aldrich

2,2,4-Trimethylpentane

suitable for HPLC, ≥99%

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Synonym(s):
Isooctane
Linear Formula:
(CH3)2CHCH2C(CH3)3
CAS Number:
540-84-1
Molecular Weight:
114.23
Beilstein:
1696876
EC Number:
208-759-1
MDL number:
MFCD00008943
UNSPSC Code:
12190000
PubChem Substance ID:
329755071
NACRES:
NA.21

vapor density

3.9 (vs air)

vapor pressure

41 mmHg ( 21 °C)

Assay

≥99%

form

liquid

autoignition temp.

745 °F

expl. lim.

6 %

technique(s)

HPLC: suitable

impurities

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

transmittance

210 nm, ≥20%
235 nm, ≥80%
270 nm, ≥98%

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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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 indentified as nephrotoxicity inducing component in unleaded gasoline.

Application

2,2,4-Trimethylpentane (TMP, Isooctane) has been used for the isolation of mercury species during the HPLC cold vapor atomic fluorescence spectrometric (HPLC-CVAFS) quantification of MeHg in various biological samples. It may be used to evaluate various physical properties (densities, viscosities, refractive indexes and surface tensions) of the binary mixtures of TMP and cyclohexane.

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Signal Word

Danger

Hazard Statements

H225,H304,H315,H336,H410

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

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Regulatory Information

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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
Christoph-Cornelius Brombach et al.
Analytical and bioanalytical chemistry, 407(3), 973-981 (2014-10-17)
Mercury (Hg) is a global pollutant which occurs in different species, with methylmercury (MeHg) being the critical compound due to its neurotoxicity and bioaccumulation through the food chain. Methods for trace speciation of MeHg are therefore needed for a vast

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