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C101605

Sigma-Aldrich

1,3-Cyclohexanedione

97%

Synonym(s):
Dihydroresorcinol
Linear Formula:
C6H8(=O)2
CAS Number:
Molecular Weight:
112.13
Beilstein:
385888
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

97%

form

powder

contains

1-3% sodium chloride as stabilizer

mp

101-105 °C (lit.)

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

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This Item
M37935125423515981
1,3-Cyclohexanedione 97%

Sigma-Aldrich

C101605

1,3-Cyclohexanedione

1,4-Cyclohexanedione 98%

Sigma-Aldrich

125423

1,4-Cyclohexanedione

1,3-Cycloheptanedione 97%

Sigma-Aldrich

515981

1,3-Cycloheptanedione

assay

97%

assay

97%

assay

98%

assay

97%

form

powder

form

-

form

solid

form

-

mp

101-105 °C (lit.)

mp

206-208 °C (lit.)

mp

77-78.5 °C (lit.)

mp

-

storage temp.

2-8°C

storage temp.

-

storage temp.

-

storage temp.

-

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

contains

1-3% sodium chloride as stabilizer

contains

-

contains

-

contains

-

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 ß-enaminones , polyhydroquinoline derivatives , 1,8-dioxo-dodecahydroxanthenes , spirocyclopentanols , oxathioles , and triquinanes.

Pictograms

CorrosionExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 2

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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