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1.04727

Supelco

Isooctane

for analysis EMSURE® ACS,Reag. Ph Eur

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Synonym(s):
2,2,4-Trimethylpentane, 2,2,4-Trimethylpentane, Isobutyltrimethylmethane, iso-Octane, Isooctane
Linear Formula:
(CH3)2CHCH2C(CH3)3
CAS Number:
Molecular Weight:
114.23
Beilstein:
1696876
MDL number:
EC Index Number:
208-759-1

grade

ACS reagent

Quality Level

Agency

reag. Ph. Eur.

vapor density

3.9 (vs air)

vapor pressure

41 mmHg ( 21 °C)

product line

EMSURE®

Assay

≥99.5% (GC)

form

liquid

autoignition temp.

745 °F

potency

>2500 mg/kg LD50, oral (Rat)

expl. lim.

6 %

impurities

≤0.0003 meq/g Acidity
≤0.005% Sulfur compounds (as S)
≤0.01% Water

evapn. residue

≤0.001%

color

APHA: ≤10

transmittance

250-420 nm, ≥98%

refractive index

n20/D 1.391 (lit.)

pH

7

bp

98-99 °C (lit.)

mp

−107 °C (lit.)

transition temp

flash point -12 °C

density

0.692 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.00005%
B: ≤0.000002%
Ba: ≤0.00001%
Ca: ≤0.00005%
Cd: ≤0.000005%
Co: ≤0.000002%
Cr: ≤0.000002%
Cu: ≤0.000002%
Fe: ≤0.00001%
Mg: ≤0.00001%
Mn: ≤0.000002%
Ni: ≤0.000002%
Pb: ≤0.00001%
Sn: ≤0.00001%
Zn: ≤0.00001%

storage temp.

2-30°C

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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8.216271.946051.04718
Isooctane for analysis EMSURE® ACS,Reag. Ph Eur

Supelco

1.04727

Isooctane

Isooctane for synthesis

Sigma-Aldrich

8.21627

Isooctane

Isooctane for analysis EMPARTA® ACS

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1.94605

Isooctane

Isooctane for spectroscopy Uvasol®

Supelco

1.04718

Isooctane

vapor density

3.9 (vs air)

vapor density

3.9 (vs air)

vapor density

3.9 (vs air)

vapor density

3.9 (vs air)

vapor pressure

41 mmHg ( 21 °C)

vapor pressure

41 mmHg ( 21 °C)

vapor pressure

41 mmHg ( 21 °C)

vapor pressure

41 mmHg ( 21 °C)

assay

≥99.5% (GC)

assay

≥99% (GC)

assay

-

assay

≥99.8% (GC)

form

liquid

form

liquid

form

-

form

liquid

autoignition temp.

745 °F

autoignition temp.

745 °F

autoignition temp.

745 °F

autoignition temp.

745 °F

Analysis Note

Purity (GC): ≥ 99.5 %
Identity (IR): conforms
Color: ≤ 10 Hazen
Acidity: ≤ 0.0003 meq/g
Density (d 20 °C/20 °C): 0.691 - 0.696
Refractive index (n 20/D): 1.391 - 1.393
Boiling range (98-100°C): ≥ 95 % (v/v)
Sulfur compounds (as S): ≤ 0.005 %
Readily carbonizable substances: conforms
Transmission (between 250nm and 420nm): ≥ 98 %
Al (Aluminium): ≤ 0.00005 %
B (Boron): ≤ 0.000002 %
Ba (Barium): ≤ 0.00001 %
Ca (Calcium): ≤ 0.00005 %
Cd (Cadmium): ≤ 0.000005 %
Co (Cobalt): ≤ 0.000002 %
Cr (Chromium): ≤ 0.000002 %
Cu (Copper): ≤ 0.000002 %
Fe (Iron): ≤ 0.00001 %
Mg (Magnesium): ≤ 0.00001 %
Mn (Manganese): ≤ 0.000002 %
Ni (Nickel): ≤ 0.000002 %
Pb (Lead): ≤ 0.00001 %
Sn (Tin): ≤ 0.00001 %
Zn (Zinc): ≤ 0.00001 %
Evaporation residue: ≤ 0.001 %
Water: ≤ 0.01 %
Corresponds to ACS, Ph Eur-reagent

Legal Information

EMSURE is a registered trademark of Merck KGaA, Darmstadt, Germany

Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

10.4 °F - closed cup

Flash Point(C)

-12 °C - closed cup


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