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Merck
CN

92509

2-Cyclohexen-1-one

produced by BASF, ≥98.0% (GC)

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About This Item

Linear Formula:
C6H8(=O)
CAS Number:
930-68-7
Molecular Weight:
96.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57653484
EC Number:
213-223-5
Beilstein/REAXYS Number:
1280477
MDL number:
MFCD00001577
Assay:
≥98.0% (GC)
Form:
liquid

Key Documents

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InChI

1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2

SMILES string

O=C1CCCC=C1

InChI key

FWFSEYBSWVRWGL-UHFFFAOYSA-N

vapor pressure

760 mmHg ( 168 °C)

assay

≥98.0% (GC)

form

liquid

impurities

≤0.5% water

refractive index

n20/D 1.488 (lit.)

bp

171-173 °C (lit.)

mp

−53 °C (lit.)

density

0.993 g/mL at 25 °C (lit.)

functional group

ketone

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pictograms

FlameSkull and crossbones
GHS02,GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 2 Dermal - Acute Tox. 3 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

132.8 °F - closed cup

flash_point_c

56 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBG7615V
BCBC3324
412833/1
1208518
448863/1

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Olivia Dean et al.
Pharmacology, biochemistry, and behavior, 97(2), 293-300 (2010-09-08)
Oxidative stress has been implicated in several psychiatric illnesses, including schizophrenia. Glutathione is the brain's primary antioxidant and decreased levels of brain glutathione are reported in schizophrenia. Prepulse inhibition (PPI) is a measure of sensory gating, and PPI is reduced
Marcin Kwit et al.
Organic & biomolecular chemistry, 8(24), 5635-5645 (2010-10-14)
The absolute configurations of 2-cyclohexenone cis-diol metabolites resulting from the biotransformation of the corresponding phenols have been determined by comparison of their experimental and calculated circular dichroism spectra (TDDFT at the PCM/B2LYP/Aug-cc-pVTZ level), optical rotations (calculated at the PCM/B3LYP/Aug-cc-pVTZ level)
Polyssena Renzi et al.
Organic & biomolecular chemistry, 8(5), 980-983 (2010-02-19)
The multicomponent reaction between proline lithium salt, 2-cyclohexen-1-one and aliphatic aldehydes affords the 4-alkylidene-2-cyclohexen-1-ones, which are interesting fragrances, and bicyclic amino acids that bear four additional stereocenters, obtained as single stereoisomer.
Albert Poater et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 16(48), 14348-14353 (2010-11-18)
The current approach to improve and tune the enantioselective performances of transition-metal catalysts for asymmetric synthesis is mostly focused to modifications of the steric properties of the ancillary ligands of the active metal. Nevertheless, it is also known that electrostatic
Masaki Okamoto et al.
Chemical communications (Cambridge, England), (47)(47), 7363-7365 (2009-12-22)
Conjugate addition of Et(2)Zn to 2-cyclohexen-1-one catalyzed by Cu(OTf)(2) combined with an azolium salt derived from (S)-leucinol produced the corresponding (S)-adduct, while the use of Cu(acac)(2) in combination with the same ligand afforded the (R)-adduct as a major product.
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