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Name |
2,4-Hexanedione |
EINECS | 221-094-1 |
CAS No. | 3002-24-2 | Density | 0.937 g/cm3 |
PSA | 34.14000 | LogP | 0.94460 |
Solubility | N/A | Melting Point |
240-241℃ |
Formula | C6H10O2 | Boiling Point | 161.225 °C at 760 mmHg |
Molecular Weight | 114.144 | Flash Point | 53.59 °C |
Transport Information | UN 1224 | Appearance | clear colourless to yellow liquid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 88937;Propionylacetone;Acetone, propionyl-; |
Article Data | 37 |
Conditions | Yield |
---|---|
In diethyl ether at -78℃; for 0.0166667h; | 58% |
Conditions | Yield |
---|---|
With methanol; sulfuric acid; mercury(II) sulfate | |
With mercury dichloride at 100℃; |
Conditions | Yield |
---|---|
With sulfuric acid |
propionic acid
hexane-2,4-dione
Conditions | Yield |
---|---|
With tetrachlorosilane; benzene Erhitzen des Reaktionsgemisches mit Acetessigsaeure-aethylester unter Zusatz von Magnesiumoxid und Kupfer(II)-acetat auf 165-170grad und anschliessenden Behandeln mit wss.Schwefelsaeure; |
Conditions | Yield |
---|---|
With sodium | |
With sodium unter Kuehlung durch eine Kaeltemischung von Eis und Kochsalz; | |
With sodium at 0 - 20℃; Inert atmosphere; | 200 mg |
Conditions | Yield |
---|---|
With sodium hydride; benzene at 0 - 5℃; | |
With sodium hydride In diethyl ether | |
With sulfuric acid; sodium hydride 1.) diethyl ether, 40-50 deg C, 1h, then room temp., overnight;; Multistep reaction; |
hexane-2,4-dione 2-enol tautomer
hexane-2,4-dione
Conditions | Yield |
---|---|
at 24℃; Equilibrium constant; |
4-ethoxy-hex-3-en-1-yne
hexane-2,4-dione
Conditions | Yield |
---|---|
With sulfuric acid |
Conditions | Yield |
---|---|
(i) BF3, (ii) aq. NaOAc; Multistep reaction; |
Conditions | Yield |
---|---|
In ammonia |
Molecule structure of 2,4-Hexanedione (CAS NO.3002-24-2):
IUPAC Name: Hexane-2,4-dione
Molecular Weight: 114.1424 g/mol
Molecular Formula: C6H10O2
Density: 0.936 g/cm3
Boiling Point: 161.2 °C at 760 mmHg
Flash Point: 53.6 °C
Index of Refraction: 1.405
Molar Refractivity: 29.9 cm3
Molar Volume: 121.8 cm3
Surface Tension: 28.3 dyne/cm
Enthalpy of Vaporization: 39.78 kJ/mol
Vapour Pressure: 2.3 mmHg at 25 °C
XLogP3-AA: 0.3
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 8
Exact Mass: 114.06808
MonoIsotopic Mass: 114.06808
Topological Polar Surface Area: 34.1
Heavy Atom Count: 8
Canonical SMILES: CCC(=O)CC(=O)C
InChI: InChI=1S/C6H10O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3
InChIKey: NDOGLIPWGGRQCO-UHFFFAOYSA-N
EINECS: 221-094-1
Product Categories: Organics
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD | intraperitoneal | > 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 221, 1954. |
RIDADR: 1224
HazardClass: 3.2
PackingGroup: III
2,4-Hexanedione (CAS NO.3002-24-2) is also named as 4-01-00-03687 (Beilstein Handbook Reference) ; AI3-19251 ; Acetone, propionyl- ; BRN 1071471 ; NSC 88937 ; Propionylacetone . 2,4-Hexanedione (CAS NO.3002-24-2) is clear colourless to yellow liquid.