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Merck

33117

Cyclohexane

puriss. p.a., ACS reagent, ≥99.5% (GC)

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About This Item

Empirical Formula (Hill Notation):
C6H12
CAS Number:
Molecular Weight:
84.16
UNSPSC Code:
12191502
NACRES:
NA.21
PubChem Substance ID:
EC Number:
203-806-2
Beilstein/REAXYS Number:
1900225
MDL number:
Assay:
≥99.5% (GC)
Technique(s):
GC/GC: suitable
Bp:
80.7 °C (lit.)
Vapor pressure:
168.8 mmHg ( 37.7 °C)
77 mmHg ( 20 °C)
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Product Name

Cyclohexane, puriss. p.a., ACS reagent, ≥99.5% (GC)

InChI key

XDTMQSROBMDMFD-UHFFFAOYSA-N

InChI

1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

SMILES string

C1CCCCC1

grade

ACS reagent
puriss. p.a.

vapor density

2.9 (vs air)

vapor pressure

168.8 mmHg ( 37.7 °C)
77 mmHg ( 20 °C)

assay

≥99.5% (GC)

form

liquid

autoignition temp.

500 °F

expl. lim.

9 %

technique(s)

GC/GC: suitable

impurities

≤0.001% free acid (as HCl)
≤0.001% non-volatile matter
≤0.01% water (Karl Fischer)
≤0.05% aromatic substances (as C6H6)
≤0.05% cyclohexene (C6H10)

color

APHA: ≤10

refractive index

n20/D 1.4250-1.4280
n20/D 1.426 (lit.)

bp

80.7 °C (lit.)

mp

4-7 °C (lit.)

transition temp

solidification point 5.5-6.5 °C

density

0.779 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg
B: ≤0.02 mg/kg
Ba: ≤0.1 mg/kg
Ca: ≤0.5 mg/kg
Cd: ≤0.05 mg/kg
Co: ≤0.02 mg/kg
Cr: ≤0.02 mg/kg
Cu: ≤0.02 mg/kg
Fe: ≤0.1 mg/kg
Mg: ≤0.1 mg/kg
Mn: ≤0.02 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sn: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

suitability

passes test for reaction against H2SO4

Quality Level

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Application

Cyclohexane has been used to prepare a 1.3M solution of sec-butyllithium. It may be used as a starting reagent for the synthesis of adipic acid and ε-caprolactam.

General description

Cyclohexane undergoes oxidation in the presence of various oxidants such as hydrogen peroxide, tert-butyl hydroperoxide and molecular oxygen.

Other Notes

Pertains only in Germany: unversteuert
The article number 33117-4X2.5L will be discontinued. Please order the single bottle 33117-2.5L which is physically identical with the same exact specifications.
The article number 33117-4X2.5L-M will be discontinued. Please order the single bottle 33117-2.5L-M which is physically identical with the same exact specifications.

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

-4.0 °F - closed cup

flash_point_c

-20 °C - closed cup


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Cyclohexane oxidation continues to be a challenge.
Schuchardt ULF, et al.
Applied Catalysis A: General, 211(1), 1-17 (2001)
Hyperbranched nanomolecules: Regular polystyrene dendrigrafts.
Muchtar Z, et al.
Macromolecules, 34(22), 7595-7600 (2001)
Eagleson M.
Concise Encyclopedia Chemistry, 168-168 (1994)
Sandra Yucra et al.
Environmental health : a global access science source, 7, 59-59 (2008-11-19)
Organophosphates are broad class of chemicals widely used as pesticides throughout the world. We performed a cross-sectional study of associations between dialkylphosphate metabolites of organophosphates and semen quality among pesticide applicators in Majes (Arequipa), Peru. Thirty-one men exposed to organophosphate
Amanda L Pitts et al.
Journal of the American Chemical Society, 136(24), 8614-8625 (2014-05-16)
Carbon-hydrogen bond activation reactions of four cycloalkanes (C5H10, C6H12, C7H14, and C8H16) by the Cp'Rh(CO) fragments (Cp' = η(5)-C5H5 (Cp) or η(5)-C5Me5 (Cp*)) were modeled theoretically by combining density functional and coupled cluster theories, and their reaction rates were measured

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