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92509

Sigma-Aldrich

2-Cyclohexen-1-one

produced by BASF, ≥98.0% (GC)

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About This Item

Linear Formula:
C6H8(=O)
CAS Number:
Molecular Weight:
96.13
Beilstein/REAXYS Number:
1280477
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

grade

produced by BASF

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.)

SMILES string

O=C1CCCC=C1

InChI

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

InChI key

FWFSEYBSWVRWGL-UHFFFAOYSA-N

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pictograms

FlameSkull and crossbones

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_germany

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


Certificates of Analysis (COA)

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Ronaldo Mariz et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 16(48), 14335-14347 (2010-11-16)
A family of chiral C(2)-symmetric disulfoxide ligands possessing biaryl atropisomeric backbones has been synthesized by using the Andersen methodology. Complete characterization includes X-ray crystallographic studies of all ligands and some of their rhodium complexes. Their synthesis, optical purity, electronic properties
Xingwang Wang et al.
Journal of the American Chemical Society, 130(19), 6070-6071 (2008-04-22)
A highly enantioselective epoxidation of cyclic enones with hydrogen peroxide has been developed that is catalyzed by chiral primary amine salts.
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.

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