Merck
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1.04374

Supelco

n-Hexane

for analysis EMSURE® ACS,Reag. Ph Eur

Synonym(s):
Hexane, n-Hexane
Linear Formula:
CH3(CH2)4CH3
CAS Number:
Molecular Weight:
86.18
Beilstein:
1730733
MDL number:
EC Index Number:
203-777-6

grade

ACS reagent

Quality Level

Agency

reag. Ph. Eur.

vapor density

~3 (vs air)

vapor pressure

256 mmHg ( 37.7 °C)
5.2 psi ( 37.7 °C)
~132 mmHg ( 20 °C)

product line

EMSURE®

assay

≥96.0% (GC)
≥98.50% (hexane isomers + methylcyclopentane, GC)

form

liquid

autoignition temp.

453 °F

potency

25000 mg/kg LD50, oral (Rat)
>2000 mg/kg LD50, skin (Rabbit)

expl. lim.

7.7 %

impurities

≤0.0003 meq/g Water-soluble titrable acid
≤0.005% Sulfur compounds (as S)
≤0.01% Aromatics (as benzene)
≤0.01% Water

evapn. residue

≤0.001%

color

APHA: ≤10

transmittance

260-420 nm, ≥97%

refractive index

n20/D 1.375 (lit.)

kinematic viscosity

0.50 cSt(20 °C)

bp

69 °C (lit.)

mp

−95 °C (lit.)

transition temp

flash point -22 °C

density

0.659 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%

SMILES string

CCCCCC

storage temp.

2-30°C

InChI

1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3

InChI key

VLKZOEOYAKHREP-UHFFFAOYSA-N

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General description

EMSURE grade solvents are suitable for a broad spectrum of classical lab applications, and are frequently used in regulated and highly demanding lab applications. EMSURE provides worldwide best and most extensive product specifications. We declare our EMSURE range to be in compliance with the ACS, with the reagent part of the European Pharmacopoeia (Reag. Ph Eur) and also with the ISO standards.

Analysis Note

Purity (GC): ≥ 96.0 %
Purity Σ hexane isomers + methylcyclopentane (GC): ≥ 98.5 %
Identity (IR): conforms
Color: ≤ 10 Hazen
Water-soluble titrable acid: ≤ 0.0003 meq/g
Refractive index (n 20/D): 1.375 - 1.376
Density (d 20 °C/20 °C): 0.659 - 0.663
Boiling range (min.95 %): 67 - 69 °C
Transmission (between 260 nm and 420 nm): ≥ 97 %
Thiophene: conforms
Aromatics (as benzene): ≤ 0.01 %
Sulfur compounds (as S): ≤ 0.005 %
Readily carbonizable substances: conforms
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 %

Legal Information

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

Signal Word

Danger

Hazard Classifications

Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3

Target Organs

Central nervous system, Nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

-7.6 °F

Flash Point(C)

-22 °C

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