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650439

Sigma-Aldrich

2,2,4-Trimethylpentane

HPLC Plus, for HPLC, GC, and residue analysis, ≥99.5%

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
Beilstein/REAXYS Number:
1696876
EC Number:
208-759-1
MDL number:
MFCD00008943
UNSPSC Code:
12190000
PubChem Substance ID:
329760019
NACRES:
NA.21

grade

HPLC Plus
for residue analysis

Quality Level

100

vapor density

3.9 (vs air)

vapor pressure

41 mmHg ( 21 °C)

assay

≥99.5%

form

liquid

autoignition temp.

745 °F

expl. lim.

6 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

impurities

<0.01% water
<1.0 ppb Fluorescence (quinine) at 365 nm

evapn. residue

<0.0001%

halogenated residue

<10 ng/L (as heptachlor epoxide)

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.)

λ

H2O reference

UV absorption

λ: 205 nm Amax: 1.00
λ: 225 nm Amax: 0.10
λ: 254 nm Amax: 0.01

application(s)

food and beverages

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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Application

Suitable for HPLC, spectrophotometry, environmental testing

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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_germany

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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Liquid chromatography/electrospray mass spectrometric detection of fatty acid by charge reversal derivatization with more than 4-orders of magnitude improvement in sensitivity.
Bollinger JG, et al.
Journal of Lipid Research, 55, 603-603 (2013)
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)
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
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
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)
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