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29140

Cyclohexanone

≥99.5% (GC), suitable for GC/GC, puriss. p.a.

Synonym(s):

pimelic ketone

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About This Item

Linear Formula:
C6H10(=O)
CAS Number:
108-94-1
Molecular Weight:
98.14
NACRES:
NA.21
PubChem Substance ID:
57648345
UNSPSC Code:
12352100
EC Number:
203-631-1
MDL number:
MFCD00001625
Beilstein/REAXYS Number:
385735
Assay:
≥99.5% (GC)
Technique(s):
GC/GC: suitable
Bp:
155 °C (lit.)
Vapor pressure:
3.4 mmHg ( 20 °C)
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Product Name

Cyclohexanone, puriss. p.a., ≥99.5% (GC)

vapor density

3.4 (vs air)

Quality Segment

200

vapor pressure

3.4 mmHg ( 20 °C)

grade

puriss. p.a.

assay

≥99.5% (GC)

autoignition temp.

788 °F

expl. lim.

1.1 %, 100 °F, 9.4 %

technique(s)

GC/GC: suitable

impurities

≤0.5% water

evapn. residue

≤0.05%

refractive index

n20/D 1.450

bp

155 °C (lit.)

mp

−47 °C (lit.)

density

0.947 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg, Ba: ≤0.1 mg/kg, Bi: ≤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, K: ≤0.5 mg/kg, Li: ≤0.1 mg/kg, Mg: ≤0.1 mg/kg, Mn: ≤0.02 mg/kg, Mo: ≤0.1 mg/kg, Na: ≤0.5 mg/kg, Ni: ≤0.02 mg/kg, Pb: ≤0.1 mg/kg, Sr: ≤0.1 mg/kg, Zn: ≤0.1 mg/kg

functional group

ketone

SMILES string

O=C1CCCCC1

InChI

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

InChI key

JHIVVAPYMSGYDF-UHFFFAOYSA-N

General description

Cyclohexanone is a cyclic ketone mainly used as an intermediate in the synthesis of nylon.

Application

Cyclohexanone may undergo asymmetric Michael addition with aryl and alkyl nitroolefins in the presence of pyrrolidine-urea based catalysts to form the corresponding adducts. It may also be used in the synthesis of a wide range of compounds such as adipic acid, 2-(hydroxy(phenyl)methyl)cyclohexanone, 2-allylcyclohexan-1-one, tetrasubstituted propargylamines and N-cyclohexyl-benzyl amine derivatives.

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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

flash_point_f

111.2 °F - closed cup

flash_point_c

44 °C - closed cup

ppe

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

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