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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:
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
Assay:
≥99.5%
technique(s):
HPLC: suitable
gas chromatography (GC): suitable
application(s):
food and beverages
bp:
98-99 °C (lit.)
vapor pressure:
41 mmHg ( 21 °C)

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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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

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

10.4 °F - closed cup

Flash Point(C)

-12 °C - closed cup

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 1 petroleums
Hazardous rank II
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

650439-VAR:
650439-BULK:
650439-18L-RC:
650439-4L:4548173348575
650439-1L:4548173348568
650439-20L:
650439-4X4L:4548173348582
650439-6X1L:4548173348599

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW3119
MKCV8816
MKCV8817
MKCW2912
MKCV0067

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2,3,4-Trimethylpentane 98%

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257508

2,3,4-Trimethylpentane

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)
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
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
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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