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Merck

34862-M

2,2,4-Trimethylpentane

suitable for HPLC, ≥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:
12190000
NACRES:
NA.21
PubChem Substance ID:
329755071
EC Number:
208-759-1
Beilstein/REAXYS Number:
1696876
MDL number:
MFCD00008943
Grade:
HPLC grade
Assay:
≥99%
Technique(s):
HPLC: suitable
Bp:
98-99 °C (lit.)
Vapor pressure:
41 mmHg ( 21 °C)

Key Documents

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Product Name

2,2,4-Trimethylpentane, suitable for HPLC, ≥99%

InChI key

NHTMVDHEPJAVLT-UHFFFAOYSA-N

InChI

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

SMILES string

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

grade

HPLC grade

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.)

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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.

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.

Other Notes

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

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

-12.00 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB4217
SDBB4692
SDBB3783
SDBB1660
STBL4643

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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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