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Merck
CN

V800140

Cyclohexanone

LR, ≥99%

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About This Item

Linear Formula:
C6H10(=O)
CAS Number:
108-94-1
Molecular Weight:
98.14
EC Number:
203-631-1
UNSPSC Code:
12191502
PubChem Substance ID:
329829188
Beilstein/REAXYS Number:
385735
MDL number:
MFCD00001625
Assay:
≥99%
Grade:
LR
Bp:
155 °C (lit.)
Vapor pressure:
3.4 mmHg ( 20 °C)

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InChI

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

InChI key

JHIVVAPYMSGYDF-UHFFFAOYSA-N

SMILES string

O=C1CCCCC1

grade

LR

vapor density

3.4 (vs air)

vapor pressure

3.4 mmHg ( 20 °C)

product line

Vetec™

assay

≥99%

form

liquid

autoignition temp.

788 °F

expl. lim.

1.1 %, 100 °F, 9.4 %

dilution

(for analytical testing)

pH

~7 (20 °C, 70 g/L)

bp

155 °C (lit.)

mp

−47 °C (lit.)

density

0.947 g/mL at 25 °C (lit.)

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Legal Information

Vetec 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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MMBB4812
MMBB4640
MMBB4454
MMBB3953
MMBB3618

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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)
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)
Alakananda Hajra et al.
Organic letters, 14(21), 5488-5491 (2012-10-18)
Dehydrogenative aromatization of cyclohexanone imines to arylamines has been achieved using a palladium catalyst under aerobic conditions. The reaction is applicable to a variety of imines that are either preformed or generated in situ from cyclohexanone derivatives and aryl or
Brahm J Yachnin et al.
Journal of the American Chemical Society, 134(18), 7788-7795 (2012-04-18)
The Baeyer-Villiger monooxygenases (BVMOs) are a family of bacterial flavoproteins that catalyze the synthetically useful Baeyer-Villiger oxidation reaction. This involves the conversion of ketones into esters or cyclic ketones into lactones by introducing an oxygen atom adjacent to the carbonyl
Yun-Yun Xu et al.
Bioorganic & medicinal chemistry, 21(2), 388-394 (2012-12-19)
A type of novel α,β-unsaturated cyclohexanone analogous, which designed based on the curcumin core structure, have been discovered as potential EGFR inhibitors. These compounds exhibit potent antiproliferative activity in two human tumor cell lines (Hep G2 and B16-F10). Among them
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