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Merck
CN

155012

2,2,4-Trimethylpentane

ACS spectrophotometric grade, ≥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:
12352001
PubChem Substance ID:
24849327
eCl@ss:
39010116
EC Number:
208-759-1
Beilstein/REAXYS Number:
1696876
MDL number:
MFCD00008943
Assay:
≥99%
Grade:
ACS spectrophotometric grade
Technique(s):
UV/Vis spectroscopy: suitable
Vapor pressure:
41 mmHg ( 21 °C)

Key Documents

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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

ACS spectrophotometric 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)

UV/Vis spectroscopy: suitable

impurities

≤0.0003 meq/g Water-soluble titr. acid, ≤0.005% S compounds

evapn. residue

≤0.001%

color

APHA: ≤10

Quality Level

200

mp

−107 °C (lit.)

density

0.692 g/mL at 25 °C (lit.)

λ

H2O reference

UV absorption

λ: 210 nm Amax: 1.00, λ: 220 nm Amax: 0.20, λ: 230 nm Amax: 0.10, λ: 240 nm Amax: 0.04, λ: 250-400 nm Amax: 0.01

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Other Notes

A -D suffix exists for administrative purposes only.
All -D packages are 100% the same product, same quality, same specification as the package sizes previously sold without a -D.

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 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
1441734V
SHBB5803V
1480330V
1480329V
1479634V

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Yufeng Zhang et al.
Journal of chromatography. A, 1252, 67-73 (2012-07-10)
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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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Lipids, 47(1), 93-99 (2011-11-22)
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