2-Acetyl-1,3-cyclohexanedione - CAS 4056-73-9

Catalog:	BB024566
Product Name:	2-Acetyl-1,3-cyclohexanedione
CAS:	4056-73-9
Synonyms:	2-acetylcyclohexane-1,3-dione

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	2-acetylcyclohexane-1,3-dione
Description:	2-Acetyl-1,3-cyclohexanedione (CAS# 4056-73-9) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	154.16
Molecular Formula:	C8H10O3
Canonical SMILES:	CC(=O)C1C(=O)CCCC1=O
InChI:	InChI=1S/C8H10O3/c1-5(9)8-6(10)3-2-4-7(8)11/h8H,2-4H2,1H3
InChI Key:	CHNXDYRMRBQOEF-UHFFFAOYSA-N
Boiling Point:	85 °C / 0.1 mmHg (lit.)
Density:	1.179 g/cm³
Solubility:	Miscible w/ acetone, EtOH, DMSO, DMF
Appearance:	White to yellow solid, powder, or crystals
MDL:	MFCD00001586
LogP:	0.51370

Publication Number	Title	Priority Date
JP-2021116383-A	Outdoor vinyl chloride resin composition with excellent weather resistance	20200128
WO-2021075482-A1	1,3-cyclohexanedione derivatives and 1,3-cyclopentanedione derivatives as buffering molecules in non-aqueous solutions	20191016
WO-2020262667-A1	Resin composition, and multilayer structure and packaging material using same	20190626
WO-2020023710-A1	Substituted tetrahydrocyclopenta[c]pyrroles, substituted dihydropyrrolizines, analogues thereof, and methods using same	20180727
CN-112638376-A	Substituted tetrahydrocyclopenta [ c ] pyrroles, substituted dihydropyrrolizines, analogs thereof and methods of use thereof	20180727

PMID	Publication Date	Title	Journal
12741648	20030401	Solid-phase fluoroimmunoassay for the determination of mesotrione--a novel triketone herbicide--in water with direct measurement of the fluorescence onto the solid support	The Analyst
10853644	20000501	SAR studies of 2-o-substituted-benzoyl- and 2-alkanoyl-cyclohexane-1,3-diones as inhibitors of 4-hydroxyphenylpyruvate dioxygenase	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.062994177
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.062994177
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1