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C101605

1,3-Cyclohexanedione

97%

Synonym(s):

Dihydroresorcinol

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About This Item

Linear Formula:
C6H8(=O)2
CAS Number:
504-02-9
Molecular Weight:
112.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24892301
EC Number:
207-980-0
Beilstein/REAXYS Number:
385888
MDL number:
MFCD00001585
Assay:
97%
Form:
powder
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Quality Segment

100

assay

97%

form

powder

contains

1-3% sodium chloride as stabilizer

mp

101-105 °C (lit.)

functional group

ketone

storage temp.

2-8°C

SMILES string

O=C1CCCC(=O)C1

InChI

1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2

InChI key

HJSLFCCWAKVHIW-UHFFFAOYSA-N

Gene Information

human ... ACHE(43), BCHE(590), CES1(1066)

Application

1,3-Cyclohexanedione can be used as a building block in the synthesis of:
  • 9-substituted 1,8-dioxo-xanthenes by reacting with unactivated aldehydes via aldol condensation/ Michael addition reaction.
  • [(1,2,3-triazol-4-yl)methoxy-phenyl]-2H-indazolo[2,1-b]phthalazine-trione derivatives by treating with phthalhydrazide, aromatic propargyloxy aldehydes, and azides via a four-component condensation reaction.
It can be also used to prepare 2-substituted adducts, which are important intermediates for the synthesis of β-enaminones , polyhydroquinoline derivatives , 1,8-dioxo-dodecahydroxanthenes , spirocyclopentanols , oxathioles , and triquinanes.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1

Storage Class

13 - Non Combustible Solids

wgk

WGK 2

ppe

Eyeshields, Gloves, type N95 (US)

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