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Key Documents

360066

Sigma-Aldrich

2,2,4-Trimethylpentane

anhydrous, 99.8%

Synonym(s):

TMP, 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:
12352001
PubChem Substance ID:
NACRES:
NA.21

grade

anhydrous

Quality Level

vapor density

3.9 (vs air)

vapor pressure

41 mmHg ( 21 °C)

Assay

99.8%

form

liquid

autoignition temp.

745 °F

expl. lim.

6 %

technique(s)

UV/Vis spectroscopy: suitable

impurities

<0.003% water
<0.005% water (100 mL pkg)

evapn. residue

<0.0003%

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 is a primary reference fuel with an arbitrary octane number of 100 as it burns smoothly without resulting in any knocking. It is mainly used to improve the octane rating of combustion fuels.

Application

2,2,4-Trimethylpentane has been used for the calibration of densimeter and for baseline correction in UV-Visible spectrophotometer.

Other Notes

The article number 360066-6X1L will be discontinued. Please order the single bottle 360066-1L which is physically identical with the same exact specifications.

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Density, viscosity and specific heat capacity of diesel blends with rapeseed and soybean oil methyl ester
Albo PAG, et al.
Biomass and Bioenergy, 96, 87-95 (2017)
Molecular structure of photosynthetic microbial biofuels for improved engine combustion and emissions characteristics
Hellier P, et al.
Frontiers in Bioengineering and Biotechnology, 3 (2015)
Confinement of DNA in water-in-oil microemulsions
Swami A, et al.
Langmuir, 24(20), 11828-11833 (2008)
William K Boyes et al.
Neurotoxicology and teratology, 32(5), 525-535 (2010-05-05)
The volatile organic compound 2,2,4-trimethylpentane (TMP, "isooctane") is a constituent of gasoline for which the current health effects data are insufficient to permit the US Environmental Protection Agency to conduct a risk assessment. The potential neurological impairment from acute inhalation
Nibedita Pal et al.
Analytical chemistry, 83(20), 7736-7744 (2011-09-09)
Fluorescence correlation spectroscopy (FCS) is an ideal tool for measuring molecular diffusion and size under extremely dilute conditions. However, the power of FCS has not been utilized to its best to measure diffusion and size parameters of complex chemical systems.

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