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Merck
CN

29135

Cyclohexanone

Selectophore™, ≥99.5%

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About This Item

Linear Formula:
C6H10(=O)
CAS Number:
108-94-1
Molecular Weight:
98.14
UNSPSC Code:
26111700
NACRES:
NB.61
PubChem Substance ID:
329753314
EC Number:
203-631-1
Beilstein/REAXYS Number:
385735
MDL number:
MFCD00001625

Key Documents

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Product Name

Cyclohexanone, Selectophore™, ≥99.5%

InChI key

JHIVVAPYMSGYDF-UHFFFAOYSA-N

InChI

1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

SMILES string

O=C1CCCCC1

vapor density

3.4 (vs air)

vapor pressure

3.4 mmHg ( 20 °C)

description

for ion-selective electrodes
solvent for preparation of membranes

product line

Selectophore™

assay

≥99.5% (GC)
≥99.5%

autoignition temp.

788 °F

expl. lim.

1.1 %, 100 °F
9.4 %

impurities

≤0.1% water

refractive index

n20/D 1.450 (lit.)
n20/D 1.451

bp

155 °C (lit.)

mp

−47 °C (lit.)

density

0.947 g/mL at 25 °C (lit.)

Quality Level

200

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General description

Cyclohexanone is an industrially important reagent. It is also a major intermediate in the synthesis of nylon.
Visit our Sensor Applications portal to learn more.

Other Notes

Solvent for preparing ion-selective membranes for microelectrodes; it is less volatile than other solvents

Legal Information

Selectophore is a trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

111.2 °F - closed cup

flash_point_c

44 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCN9531
BCCL8197
BCCL5932
BCCL3072
BCCM3437

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Selective phenol hydrogenation to cyclohexanone over a dual supported Pd-Lewis acid catalyst.
Liu H
Science, 326 (5957), 1250-1252 (2009)
Effect of hydrogen sulphide on the hydrodeoxygenation of aromatic and aliphatic oxygenates on sulphided catalysts.
Senol OI
J. Mol. Catal. A: Chem., 277 (1), 107-112 (2007)
U. Schaller et al.
Pflugers Archiv : European Journal of Physiology (1993)
Viktória Fábos et al.
Chemistry, an Asian journal, 7(11), 2629-2637 (2012-09-07)
Iron (and to a lesser extent manganese) in the wall of a 316 stainless steel (SS) reactor is responsible for the hydrogenation of cyclohexanone to cyclohexanol when using an aqueous formic acid solution under high temperature and pressure water (HTPW)
Application of fragment screening and merging to the discovery of inhibitors of the Mycobacterium tuberculosis cytochrome P450 CYP121.
Sean A Hudson et al.
Angewandte Chemie (International ed. in English), 51(37), 9311-9316 (2012-08-15)
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