C101605
1,3-Cyclohexanedione
97%
Synonym(s):
Dihydroresorcinol
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About This Item
Linear Formula:
C6H8(=O)2
CAS Number:
Molecular Weight:
112.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
207-980-0
Beilstein/REAXYS Number:
385888
MDL number:
Assay:
97%
Form:
powder
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
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.
signalword
Danger
hcodes
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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Combining click-multicomponent reaction: one-pot synthesis of triazolyl methoxy-phenyl indazolo [2, 1-b] phthalazine-trione derivatives
Salehi P, et al.
Molecular Diversity, 16(2), 231-240 (2012)
Reactions of methylated 5-chloro-1,2,3-thiadiazolium salts with cyclohexane-1,3-diones: X-ray crystal structure analysis of the thiapentalenic products
Gerrit L, et al.
Journal of the Chemical Society. Perkin Transactions 1, 3051-3051 (1993)
Alkylation of Cyclic 1,3-Diketones
Thennati R, et al.
Synthetic Communications, 23, 3095-3095 (1993)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| C101605-100G | 04061833460337 |
| C101605-500G | 04061832489827 |
| C101605-5G | 04061832489834 |