2,4-Hexanedione supplier | CasNO.3002-24-2

Name
2,4-Hexanedione
EINECS 221-094-1
CAS No. 3002-24-2
Article Data37
CAS DataBase
Density 0.937 g/cm³
Solubility
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
Molecular Structure
Hazard Symbols
Synonyms NSC 88937;Propionylacetone;Acetone, propionyl-;
PSA 34.14000
LogP 0.94460

Synthetic route

: 82958-29-0
lithio potassio acetone

: 105-37-3
Ethyl propionate

: 3002-24-2
hexane-2,4-dione

Conditions

Conditions	Yield
In diethyl ether at -78℃; for 0.0166667h;	58%

: 2809-69-0
2,4-hexadiyne

: 3002-24-2
hexane-2,4-dione

Conditions

Conditions	Yield
With methanol; sulfuric acid; mercury(II) sulfate
With mercury dichloride at 100℃;

: 2809-69-0
2,4-hexadiyne

A: 3002-24-2
hexane-2,4-dione

B: 10575-41-4
hex-4-yn-3-one

Conditions

Conditions	Yield
With sulfuric acid

: 802294-64-0
propionic acid

: 3002-24-2
hexane-2,4-dione

Conditions

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;

: 141-78-6
ethyl acetate

: 78-93-3
butanone

: 3002-24-2
hexane-2,4-dione

Conditions

Conditions	Yield
With sodium
With sodium unter Kuehlung durch eine Kaeltemischung von Eis und Kochsalz;
With sodium at 0 - 20℃; Inert atmosphere;	200 mg

: 105-37-3
Ethyl propionate

: 67-64-1
acetone

: 3002-24-2
hexane-2,4-dione

Conditions

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;

: 34136-00-0
hexane-2,4-dione 2-enol tautomer

: 3002-24-2
hexane-2,4-dione

Conditions

Conditions	Yield
at 24℃; Equilibrium constant;

: 20822-39-3
4-ethoxy-hex-3-en-1-yne

: 3002-24-2
hexane-2,4-dione

Conditions

Conditions	Yield
With sulfuric acid

: 108-24-7
acetic anhydride

: 78-93-3
butanone

: 3002-24-2
hexane-2,4-dione

Conditions

Conditions	Yield
(i) BF3, (ii) aq. NaOAc; Multistep reaction;

: pentane-2,4-dione; disodium bis-enolate

: 74-88-4
methyl iodide

: 3002-24-2
hexane-2,4-dione

Conditions

Conditions	Yield
In ammonia

: 2-Acetyl-3-oxo-pentanoic acid tert-butyl ester

: 3002-24-2
hexane-2,4-dione

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 80℃; for 3h;

: 75-15-0
carbon disulfide

: 7446-70-0
aluminium trichloride

: 108-05-4
vinyl acetate

: 79-03-8
propionyl chloride

A: 3002-24-2
hexane-2,4-dione

B: 7424-54-6
3,5-heptanedione

...Expand

: 141-78-6
ethyl acetate

: 96-22-0
pentan-3-one

sodium: sodium

: 3002-24-2
hexane-2,4-dione

Conditions

Conditions	Yield
at 0℃; nachfolgendes Erwaermen des Reaktionsgemisches;
Erwaermen auf dem Wasserbad;

...Expand

: 141-78-6
ethyl acetate

: 78-93-3
butanone

sodium: sodium

: 3002-24-2
hexane-2,4-dione

Conditions

Conditions	Yield
at 0℃;

...Expand

: 141-78-6
ethyl acetate

: 93-55-0
1-phenyl-propan-1-one

sodium: sodium

A: 3002-24-2
hexane-2,4-dione

B: 93-89-0
benzoic acid ethyl ester

C: 6668-24-2, 114764-47-5
2-methyl-1-phenyl-1,3-butanedione

Conditions

Conditions	Yield
at 0℃;

...Expand

: 141-78-6
ethyl acetate

ethyl propyl keton: ethyl propyl keton

sodium: sodium

A: 3002-24-2
hexane-2,4-dione

B: 7307-02-0
heptane-2,4-dione

C: 105-37-3
Ethyl propionate

D: 105-54-4
butanoic acid ethyl ester

...Expand

: 60-29-7
diethyl ether

: sodium amide

: 141-78-6
ethyl acetate

: 78-93-3
butanone

A: 3002-24-2
hexane-2,4-dione

B: 815-57-6
3-Methyl-2,4-pentanedione

Conditions

Conditions	Yield
bei Siedetemperatur;

...Expand

: 141-78-6
ethyl acetate

: 78-93-3
butanone

sodium: sodium

A: 3002-24-2
hexane-2,4-dione

B: 815-57-6
3-Methyl-2,4-pentanedione

...Expand

: 141-78-6
ethyl acetate

: 93-55-0
1-phenyl-propan-1-one

sodium: sodium

A: 3002-24-2
hexane-2,4-dione

B: 93-89-0
benzoic acid ethyl ester

C: 5331-64-6
1-phenyl-1,3-pentanedione

Conditions

Conditions	Yield
at 0℃; anschliessendes Erwaermen des Reaktionsgemisches;

...Expand

: 2809-69-0
2,4-hexadiyne

alcoholic sublimate: alcoholic sublimate

: 3002-24-2
hexane-2,4-dione

Conditions

Conditions	Yield
at 100℃;

: 67-66-3
chloroform

: 74976-03-7
(E)-4-ethyl-4-hexen-2-one

: 10028-15-6
ozone

A: 3002-24-2
hexane-2,4-dione

B: 75-07-0
acetaldehyde

Conditions

Conditions	Yield
Zersetzen des Ozonids mit heissem Wasser;

...Expand

: 67-56-1
methanol

: 2809-69-0
2,4-hexadiyne

: 7664-93-9
sulfuric acid

: mercury(II) sulfate

A: 3002-24-2
hexane-2,4-dione

B: 4437-51-8
3,4-hexanedione

C: 110-13-4
2,5-hexanedione

...Expand

: 6203-88-9
2-acetoxy-2-butene

aluminium oxide: aluminium oxide

A: 3002-24-2
hexane-2,4-dione

B: 815-57-6
3-Methyl-2,4-pentanedione

Conditions

Conditions	Yield
at 500℃;

...Expand

: 98559-34-3
5-bromo-4-ethoxy-hex-1-yne

: 3002-24-2
hexane-2,4-dione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaNH2 / liquid ammonia 2: aq. H2SO4 View Scheme

: [N,N'-ethylenebis(salicylideneaminato)](2,4-hexanedionato)cobalt(III)

A: 3002-24-2
hexane-2,4-dione

B: 14167-18-1, 1160066-30-7, 1094215-76-5
salcomine

Conditions

Conditions	Yield
In solid Kinetics; pyrolysis Co(III)(salen)(propionylacetonato) at 490 K;

: 591-78-6
n-hexan-2-one

: 3002-24-2
hexane-2,4-dione

Conditions

Conditions	Yield
With Au/SBA-15 for 30h;

: 3002-24-2
hexane-2,4-dione

: 102273-61-0
(2S)-hydroxy-2 hexanone-4

Conditions

Conditions	Yield
With Sucrose In water at 35℃; for 72h; baker's yeast (Saccharomyces cerevisiae);	100%
With phosphate buffer; E. coli BL21(DE3) harboring pACRGD plasmid cell-free extract; nicotinamide adenine dinucleotide phosphate; D-glucose In water at 30℃; pH=7.0;	70%
With D-glucose; Escherichia coli BL21(DE3) expressing SCR and GDH enzymes; nicotinamide adenine dinucleotide phosphate In phosphate buffer pH=7;	70%
With glucose-6-phosphate dehydrogenase; α-D-glucose 6-phosphate; bakers' yeast; NADPH In water at 30℃; for 16h;	69%
With glucose-6-phosphate dehydrogenase; α-D-glucose 6-phosphate; bakers' yeast; NADP In water at 30℃; Rate constant;

: 3002-24-2
hexane-2,4-dione

: 116531-35-2
(2R)-(-)-2-hydroxyhexan-4-one

Conditions

Conditions	Yield
With D-glucose In water at 27℃; for 10h; Geotrichum candidum;	100%

: 3002-24-2
hexane-2,4-dione

: 89500-75-4
(Z)-3-Amino-2,4-dicyan-2-butensaeure-methylester

: 89500-78-7
3-cyano-2-cyano(methoxycarbonyl)-methylene-6-ethyl-4-methyl-1,2-dihydropyridine

Conditions

Conditions	Yield
With sodium In methanol for 0.0333333h; Heating;	99%

: 3002-24-2
hexane-2,4-dione

: 33663-57-9
5-amino-4-hexen-3-one

Conditions

Conditions	Yield
With ammonium acetate In toluene for 5h; Heating;	95%
With ammonia

: 3002-24-2
hexane-2,4-dione

: 555-16-8
4-nitrobenzaldehdye

: 57-13-6
urea

: 6-methyl-4-(4-nitro-phenyl)-5-propionyl-3,4-dihydro-1H-pyrimidin-2-one

Conditions

Conditions	Yield
With trifluoroacetic acid In acetonitrile at 70℃; for 2h; Biginelli reaction;	95%

...Expand

: 3002-24-2
hexane-2,4-dione

A: 62885-26-1
(2RS,4RS)-hexane-2,4-diol

B: (2R,4S)-Hexane-2,4-diol

Conditions

Conditions	Yield
Ru2Cl4((R)-(+)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthyl)2*NEt3 In methanol at 50℃; under 50 Torr; for 20h; Title compound not separated from byproducts;	A 94% B 6 % Spectr.
Ru2Cl4((R)-(+)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthyl)2*NEt3 In methanol at 50℃; under 50 Torr; for 20h; Title compound not separated from byproducts;	A 94 % Spectr. B 6%

: 3002-24-2
hexane-2,4-dione

: 31595-63-8
3-hydrazineylidene-3,4-dihydroquinoxalin-2(1H)-one

: 1228259-19-5
3-(5-ethyl-3-methylpyrazol-1yl)quinoxalin-2(1H)-one

Conditions

Conditions	Yield
In ethanol for 0.0833333h; Microwave irradiation;	93.1%

: 3002-24-2
hexane-2,4-dione

: 62-53-3
aniline

: (Z)-4-Phenylamino-hex-3-en-2-one

Conditions

Conditions	Yield
With vanadium(III) chloride at 20℃; for 5h;	93%

: 3002-24-2
hexane-2,4-dione

: 485-47-2
indan-1,2,3-trione hydrate

: (3a-cis)-3a,8b-dihydro-3a,8b-dihydroxy-2-methyl-4-oxo-4H-indeno<1,2-b>furan-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
In water for 0.0166667h; Heating;	93%

: 3002-24-2
hexane-2,4-dione

: 29397-21-5
Diacetyldiazomethan

Conditions

Conditions	Yield
With 4-acetamidobenzenesulfonyl azide In acetonitrile at 0 - 20℃; Inert atmosphere;	93%

: 3002-24-2
hexane-2,4-dione

: 77693-05-1
6-amino-1-methyl-4-phenyl-1H-pyridin-2-one

: 7-ethyl-1,5-dimethyl-4-phenyl-1,8-naphthyridin-2(1H)-one

Conditions

Conditions	Yield
With PPA at 140℃; for 3h;	92%

: 3002-24-2
hexane-2,4-dione

: 104-87-0
4-methyl-benzaldehyde

: 57-13-6
urea

: 5-ethoxycarbonyl-4-(4-methylphenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one

Conditions

Conditions	Yield
With trifluoroacetic acid In acetonitrile at 70℃; for 1h; Biginelli reaction;	92%

...Expand

: 3002-24-2
hexane-2,4-dione

: 123-11-5
4-methoxy-benzaldehyde

: 57-13-6
urea

: 4-(4-methoxy-phenyl)-6-methyl-5-propionyl-3,4-dihydro-1H-pyrimidin-2-one

Conditions

Conditions	Yield
With trifluoroacetic acid In acetonitrile at 70℃; for 1h; Biginelli reaction;	92%

...Expand

: 3002-24-2
hexane-2,4-dione

: 100-10-7
4-dimethylamino-benzaldehyde

: 57-13-6
urea

: 5-ethoxycarbonyl-4-(4-N,N-dimethylphenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one

Conditions

Conditions	Yield
With trifluoroacetic acid In acetonitrile at 70℃; for 1.3h; Biginelli reaction;	90%

...Expand

: 3002-24-2
hexane-2,4-dione

: 57-13-6
urea

: 552-89-6
2-nitro-benzaldehyde

: 1370359-92-4
C14H15N3O4

Conditions

Conditions	Yield
With trifluoroacetic acid In acetonitrile at 70℃; for 2.1h; Biginelli reaction;	90%

...Expand

: 3002-24-2
hexane-2,4-dione

: 1820-80-0
3-aminopyrazole

: 5-Methyl(ethyl)-7-ethyl(methyl)pyrazolo[1,5-a]pyrimidine

Conditions

Conditions	Yield
piperidine In ethanol	87%

: 3002-24-2
hexane-2,4-dione

: 105002-68-4
1-(3,5-dinitrophenyl)hydrazine

: 3718-29-4
1-(2,4-dinitrophenyl)-3-methyl-1H-pyrazol-5(4H)-one

Conditions

Conditions	Yield
In ethanol; acetic acid for 0.05h; Temperature; Solvent; Microwave irradiation;	87%

: 3002-24-2
hexane-2,4-dione

: 6776-31-4
2,2,2-Trifluor-1-acetoxy-N-benzyloxycarbonyl-ethylamin

: C16H18F3NO4

Conditions

Conditions	Yield
With C8H20N2*CHF3O3S In chloroform at 60℃; for 48h; stereoselective reaction;	87%

: 3002-24-2
hexane-2,4-dione

: 3-fluoro-hexane-2,4-dione

Conditions

Conditions	Yield
With trifluoroamine oxide; tetra(n-butyl)ammonium hydroxide In acetonitrile at 20℃; for 12h;	85%

: 3002-24-2
hexane-2,4-dione

: 107-10-8
propylamine

: 1589011-04-0
2-hydroxy-2,5-dimethyl-4-propionyl-1-propyl-1H-pyrrol-3(2H)-one

Conditions

Conditions	Yield
With dihydrogen peroxide In water at 25℃; for 8.75h; Green chemistry; regioselective reaction;	85%

: 3002-24-2
hexane-2,4-dione

A: 4-bromo-3-ethyl-5-methylisoxazole

B: 4-bromo-5-ethyl-3-methylisoxazole

Conditions

Conditions	Yield
Stage #1: hexane-2,4-dione With hydroxylamine hydrochloride; sodium carbonate In methanol; water Reflux; Stage #2: With N-Bromosuccinimide In N,N-dimethyl-formamide at 20℃;	A 84.7% B n/a

: 3002-24-2
hexane-2,4-dione

: 34570-17-7
malonamamidine hydrochloride

: 1310692-68-2
2-amino-6-ethyl-4-methylnicotinamide

Conditions

Conditions	Yield
With potassium hydroxide In methanol at 20℃; for 24h;	83%

: 3002-24-2
hexane-2,4-dione

: 4110-55-8
3,5-diacetylheptane-2,6-dione

Conditions

Conditions	Yield
With gold(III) chloride; nitromethane for 2.5h; Reflux;	83%

: 3002-24-2
hexane-2,4-dione

: 459-57-4
4-fluorobenzaldehyde

: 57-13-6
urea

: 1370359-94-6
C14H15FN2O2

Conditions

Conditions	Yield
With trifluoroacetic acid In acetonitrile at 70℃; for 1.5h; Biginelli reaction;	83%

...Expand

: 3002-24-2
hexane-2,4-dione

: 100-52-7
benzaldehyde

: 91909-54-5
2-acetyl-1-ethyl-3-phenylpropenone

Conditions

Conditions	Yield
With piperidine; hexanoic acid	82%

: 3002-24-2
hexane-2,4-dione

: 79-37-8
oxalyl dichloride

: 128732-10-5
4-Acetyl-5-eth-(Z)-ylidene-3-hydroxy-5H-furan-2-one

Conditions

Conditions	Yield
With magnesium chloride In diethyl ether; hexane at 20℃; for 3h;	82%

: 3002-24-2
hexane-2,4-dione

: 480-96-6
benzofurazan oxide

: C12H12N2O3

Conditions

Conditions	Yield
In ethanol	82%

: 3002-24-2
hexane-2,4-dione

: 49619-59-2
5-methoxyl-4-oxo-<1>benzopyran-3-carboxaldehyde

: C17H16O5

Conditions

Conditions	Yield
With acetic anhydride; potassium carbonate at 80℃; for 0.666667h;	81%

: 3002-24-2
hexane-2,4-dione

: [bis(p-tolyl)methylene]cyclopropane

: C24H26O2

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In methanol at 0℃; for 0.5h;	80%

: 3002-24-2
hexane-2,4-dione

: 1830-54-2
3-oxopentanedioic acid dimethyl ester

: 76716-13-7
4-Ethyl-2-hydroxy-6-methyl-isophthalic acid dimethyl ester

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water	78%

2,4-Hexanedione Chemical Properties

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

2,4-Hexanedione Toxicity Data With Reference

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.

2,4-Hexanedione Safety Profile

RIDADR: 1224
HazardClass: 3.2
PackingGroup: III

2,4-Hexanedione Specification

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.

Product Name

2,4-Hexanedione

Synthetic route

2,4-Hexanedione Chemical Properties

2,4-Hexanedione Toxicity Data With Reference

2,4-Hexanedione Safety Profile

2,4-Hexanedione Specification

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