|
gptkbp:instanceOf
|
gptkb:chemical_compound
|
|
gptkbp:appearance
|
colorless liquid
|
|
gptkbp:aroma
|
mild, sweet
|
|
gptkbp:boilingPoint
|
140 °C
|
|
gptkbp:CASNumber
|
123-54-6
|
|
gptkbp:category
|
solvent
chelating agent
beta-diketone
|
|
gptkbp:chemicalFormula
|
C5H8O2
|
|
gptkbp:density
|
0.975 g/cm³
|
|
gptkbp:discoveredBy
|
gptkb:Justus_von_Liebig
|
|
gptkbp:discoveredIn
|
1863
|
|
gptkbp:EC_number
|
204-634-0
|
|
gptkbp:enol_content_(in_hexane)
|
95%
|
|
gptkbp:enol_content_(in_water)
|
85%
|
|
gptkbp:GHS_signal_word
|
Warning
|
|
gptkbp:GHSClassification
|
H315
H319
H335
H226
|
|
gptkbp:handles
|
avoid contact with skin and eyes
|
|
gptkbp:hasInChIKey
|
InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
|
|
gptkbp:hasSMILES
|
CC(=O)CC(=O)C
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
Acetylacetone
|
|
gptkbp:isConjugateBaseOf
|
acac
|
|
gptkbp:IUPACName
|
pentane-2,4-dione
|
|
gptkbp:KEGGID
|
C02366
|
|
gptkbp:meltingPoint
|
-23 °C
|
|
gptkbp:molecularWeight
|
100.12 g/mol
|
|
gptkbp:otherName
|
2,4-pentanedione
|
|
gptkbp:pKa
|
8.99
|
|
gptkbp:PubChem_CID
|
gptkb:CHEMBL14244
3121
CHEBI:15347
|
|
gptkbp:relatedTo
|
acetylacetonate ligand
hexafluoroacetylacetone
|
|
gptkbp:riskFactor
|
flammable
irritant
|
|
gptkbp:solubility
|
miscible
|
|
gptkbp:storage
|
store in a cool, well-ventilated place
|
|
gptkbp:structure
|
contains two carbonyl groups at C2 and C4
five carbon chain
|
|
gptkbp:tautomerism
|
keto-enol
|
|
gptkbp:UNII
|
6UCQ9C90GW
|
|
gptkbp:uses
|
solvent
chelating agent
intermediate in organic synthesis
precursor to metal acetylacetonates
|
|
gptkbp:bfsParent
|
gptkb:AcA
|
|
gptkbp:bfsLayer
|
8
|