3-Pentanone supplier | CasNO.96-22-0

Name
3-Pentanone
EINECS 202-490-3
CAS No. 96-22-0
Article Data540
CAS DataBase
Density 0.796 g/cm³
Solubility 50 g/L (20 °C) in water
Melting Point -40 °C
Formula C₅H₁₀O
Boiling Point 101 °C at 760 mmHg
Molecular Weight 86.1338
Flash Point 12.8 °C
Transport Information UN 1156 3/PG 2
Appearance colourless liquid
Safety 9-16-25-33
Risk Codes 11-37-66-67
Molecular Structure
Hazard Symbols F, Xi
Synonyms DEK;Diethyl ketone;Dimethylacetone;Ethyl ketone;Metacetone;Methacetone;NSC8653;Propione;ZED 2EK;
PSA 17.07000
LogP 1.37550

Synthetic route

: 584-02-1
2-pentanol

: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With cerium(III) sulfate; barium bromate In water; acetonitrile for 3.3h; Heating;	100%
With calcium hypochlorite In water; acetic acid; acetonitrile at 0℃; for 1h;	97%
With calcium hypochlorite In acetic acid; acetonitrile at 0℃; for 1h; Product distribution; Comparing of Ca(OCl)2 and NaOCl oxidations;	97%

: 616-25-1
1-Penten-3-ol

: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With potassium tert-butylate; trimethyl-4,6,9 hexaza-1,3,4,6,7,9 phospha-5 tricyclo<3.3.1.13,7>decane; dichloro(benzene)ruthenium(II) dimer In tetrahydrofuran at 75℃; for 1.5h; Product distribution; Further Variations:; Catalysts; Solvents;	100%
With [Os(η(5)-C5,κ-N-Cp(N))(CH3CN)2]PF6 In tetrahydrofuran-d8 at 60℃; for 1.53333h; Inert atmosphere;	100%
With potassium tert-butylate; [RuCl2(η6-p-cymene){κ1-(P)-PPh(OCH2CH2NMe3)2}][SbF6]2 In water at 75℃; for 0.0833333h; Product distribution; Further Variations:; Solvents; Catalysts; Temperatures;	99%

: 637-27-4
phenyl propionate

A: 74-85-1
ethene

B: 96-22-0
pentan-3-one

C: 108-95-2
phenol

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)nickel (0); triphenylphosphine at 54℃; for 20h; Product distribution; Rate constant; Thermodynamic data; other solvents, reagents, reagents ratio, time, temperature; activation energy, ΔH<>, ΔS<>;	A 100% B n/a C 100%

...Expand

: 15218-76-5
diethyl(2,2'-bipyridyl)nickel(II)

: 79-03-8
propionyl chloride

A: 79268-77-2
NiC2H5(Cl)((C5H4N)2)

B: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
In tetrahydrofuran EtCOCl added to toluene soln. of Ni complex; pptd. by addn. of hexane; GLC anal.;	A 68% B 96%

...Expand

: 6543-17-5
2,2-diethyl-1,3-dioxane

: 506-96-7
Acetyl bromide

A: 592-33-6
3-bromopropyl acetate

B: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
In benzene at 40℃; for 72h;	A 75% B 90%

...Expand

: 63882-90-6
3,3-bis-ethylsulfanyl-pentane

: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With dimethyl sulfoxide at 140℃; for 4h; further dithioacetals;	90%

: 16795-73-6
3-pentanone N,N-dimethylhydrazone

: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With cerium(III) chloride; silica gel for 0.0833333h; Microwave irradiation;	90%
With dihydrogen peroxide; methyltrioxorhenium(VII) In acetic acid; acetonitrile at 0 - 20℃; Product distribution; oxidative cleavage;	85%

: 6931-71-1
3,4-diethyl-hexane-3,4-diol

: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In trifluoroacetic acid at 30℃; for 0.1h;	90%

: 15218-76-5
diethyl(2,2'-bipyridyl)nickel(II)

A: 14917-14-7
Ni(CO)2(2,2'-bipyridine)

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

C: 74-85-1
ethene

D: 123-38-6
propionaldehyde

E: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With carbon monoxide In tetrahydrofuran THF, room temp., 0.1 h;	A 50% B 0% C 0% D 0% E 90%

...Expand

: C18H26O2

A: 96-22-0
pentan-3-one

B: 6-(tert-butyl)-2H-chromene

Conditions

Conditions	Yield
With 2,3-diazabicyclo[2.2.1]heptane bis-trifluoroacetic acid In ethanol at 140℃; for 12h; Sealed tube;	A n/a B 90%

: 4016-15-3
2,3-epoxypentane

A: 616-25-1
1-Penten-3-ol

B: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With magnesium bromide In N,N-dimethyl-formamide at 130℃; for 1.16667h;	A 10.9% B 89.1%

: 802294-64-0
propionic acid

A: 124-38-9
carbon dioxide

B: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With Mg3Al0.9Ce0.1 mixed oxides at 350℃; Catalytic behavior; Mechanism; Temperature; Reagent/catalyst; Inert atmosphere;	A n/a B 89%

: 802294-64-0
propionic acid

: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With Ce0.8Fe0.2O(2-x) at 350℃; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Flow reactor;	88%
catalyst A for 8.17 - 94.03h;	19%
With thorium dioxide at 305 - 375℃;

: 4362-57-6
2,2-diethyl-1,3-dioxolane

: 506-96-7
Acetyl bromide

A: 927-68-4
bromoethyl acetate

B: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
In benzene at 40℃; for 72h;	A 69% B 88%

...Expand

: 26733-25-5
2,2-diethyl-[1,3]dithiolane

: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With ferric nitrate Ambient temperature;	87%
With sodium perborate In acetic acid at 25℃; for 4h;	85%

: 1188-11-0
3-pentanone oxime

: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With tetraethyl ammonium permanganate at 20℃; for 0.666667h;	87%
With samarium; titanium tetrachloride In tetrahydrofuran at 20℃; for 0.5h;	73%
With ammonium chlorochromate; silica gel In diethyl ether; dichloromethane at 38 - 40℃; for 2h;	68.6%

: C19H24S2

: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With 1-benzyl-4-aza-1-azoniabicyclo[2.2.2]octane tribromide In methanol; dichloromethane at 20℃; for 0.166667h;	87%

: 623-14-3
pentan-3-one semicarbazone

: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With aluminum oxide; trimethylammonium chlorochromate In diethyl ether for 0.5h; Heating;	86%
With ammonium chlorochromate on aluminum oxide In diethyl ether; dimethyl sulfoxide for 6h; Heating; various conditions;	78%
With ammonium chlorochromate; silica gel In diethyl ether; dichloromethane at 38 - 40℃; for 0.5h;	76.8%
In diethyl ether; dichloromethane for 0.5h; Oxidation; Heating;
With dimethylammonium chlorochromate; silica gel In diethyl ether; dichloromethane at 38 - 40℃; for 0.5h;

: C16H22O2

A: 5,8-dimethyl-2H-chromene

B: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With 2,3-diazabicyclo[2.2.1]heptane bis-trifluoroacetic acid In ethanol at 140℃; for 12h; Sealed tube;	A 86% B n/a

: C18H20O2

A: 229-80-1
3H-naphtho[2,1-b]pyran

B: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With 2,3-diazabicyclo[2.2.1]heptane bis-trifluoroacetic acid In ethanol at 140℃; for 12h; Sealed tube;	A 85% B n/a

: 28478-26-4
4-(2-ethylbut-1-en-1-yl)morpholine

: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With potassium permanganate on Y-Zeolite In 1,2-dichloro-ethane for 6h; Ambient temperature;	84%
With potassium dichromate; sulfuric acid In diethyl ether at 25℃; for 1h;	75%

: 75912-31-1
3-pentanone p-nitrophenylhydrazone

: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With ammonium chlorochromate on aluminum oxide In dichloromethane at 35 - 40℃; for 3h;	84%
With ammonium chlorochromate; silica gel In dichloromethane at 38 - 40℃; for 0.5h;	60.5%
In dichloromethane at 35 - 40℃; for 3.7h; Yield given;

: C14H17BrO2

A: 18385-92-7
7-bromobenzopyran

B: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With 2,3-diazabicyclo[2.2.1]heptane bis-trifluoroacetic acid In ethanol at 140℃; for 12h; Sealed tube;	A 82% B n/a

: C15H20O2

A: 18385-88-1
7-methyl-2H-chromene

B: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With 2,3-diazabicyclo[2.2.1]heptane bis-trifluoroacetic acid In ethanol at 140℃; for 12h; Sealed tube;	A 81% B n/a

: C15H20O2

A: 18385-83-6
6-methyl-2H-chromene

B: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With 2,3-diazabicyclo[2.2.1]heptane bis-trifluoroacetic acid In ethanol at 140℃; for 12h; Sealed tube;	A 80% B n/a

: C14H17IO2

A: 6-iodo-2H-benzopyran

B: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With 2,3-diazabicyclo[2.2.1]heptane bis-trifluoroacetic acid In ethanol at 140℃; for 12h; Sealed tube;	A 79% B n/a

: C15H20O2

A: 90448-25-2
8-methyl-2H-1-benzopyran

B: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With 2,3-diazabicyclo[2.2.1]heptane bis-trifluoroacetic acid In ethanol at 140℃; for 12h; Sealed tube;	A 76% B n/a

: 96-22-0
pentan-3-one

: 74-86-2
acetylene

: 6285-06-9
3-ethyl-1-pentyn-3-ol

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran at 0℃;	100%
With potassium hydroxide; diethyl ether at 0℃; under 7355.08 Torr;
With diethyl ether; potassium 2-methylbutan-2-olate

: 96-22-0
pentan-3-one

: 1730-25-2
allylmagnesium bromide

: 1907-46-6
3-ethyl-5-hexen-3-ol

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 20℃; for 1h; Inert atmosphere;	100%
With diethyl ether
In tetrahydrofuran at 0℃; for 3h;

: 96-22-0
pentan-3-one

: 584-02-1
2-pentanol

Conditions

Conditions	Yield
With [(η5-C7H11)Ru(N,N’-bis(1,3,4,5-tetramethylimidazolin-2-ylidene)-1,2-ethanediamine)]BF; potassium hydroxide In isopropyl alcohol at 82℃; for 0.666667h;	100%
With Zn(2+)2BH4(1-)C6H7NO In acetonitrile at 20℃; for 0.0833333h; Reagent/catalyst; chemoselective reaction;	97%
With formic acid; sodium formate; (η5-C4Ph4COHOC4Ph4-η5)(μ-H)(CO)4Ru2 In water at 100℃; for 6.6h;	92%

: 536-74-3
phenylacetylene

: 96-22-0
pentan-3-one

: 73830-10-1
3-ethyl-1-phenyl-1-pentyn-3-ol

Conditions

Conditions	Yield
Stage #1: phenylacetylene With n-butyllithium In tetrahydrofuran at -78 - 0℃; for 1.58333h; Stage #2: pentan-3-one In tetrahydrofuran at -78 - 20℃; for 4h;	100%
Stage #1: phenylacetylene With tetrabutyl-ammonium chloride; potassium hydroxide In tetrahydrofuran at 20℃; for 12h; Inert atmosphere; Molecular sieve; Stage #2: pentan-3-one In tetrahydrofuran at 20℃; for 72h; Inert atmosphere; Molecular sieve; Stage #3: With water; ammonium chloride In tetrahydrofuran Inert atmosphere; Molecular sieve;	95%
With potassium fluoride on basic alumina at 20℃; for 20h;	90%

: 64715-80-6
(S)-1-benzyl-2-methoxyethylamine

: 96-22-0
pentan-3-one

: 77858-04-9
(1-Ethyl-propylidene)-((S)-1-methoxymethyl-2-phenyl-ethyl)-amine

Conditions

Conditions	Yield
With trifluoroacetic acid In benzene for 48h; Heating;	100%

: 138123-05-4
C2H2CeCl2N

: 96-22-0
pentan-3-one

: 17190-27-1
3-Hydroxy-3-ethylpentanenitrile

Conditions

Conditions	Yield
With lithium hexamethyldisilazane In tetrahydrofuran for 0.666667h; -78 deg C -> RT;	100%

: 96-22-0
pentan-3-one

: 221636-54-0
5,7-bis(trifluoroacetyl)-8-quinolylamine

: 1-(9-ethyl-8-methyl-7-trifluoromethyl-[1,10]phenanthrolin-5-yl)-2,2,2-trifluoro-ethane-1,1-diol

Conditions

Conditions	Yield
With ammonia; water In acetonitrile at 50℃; for 48h; Condensation; Cyclization;	100%

: 96-22-0
pentan-3-one

Merrifield resin, 1 percent DVB cross-linking, DF 11 percent: Merrifield resin, 1 percent DVB cross-linking, DF 11 percent

Et2CO-modified Merrifield resin, 1 percent DVB cross-linking, DF 11 percent: Et2CO-modified Merrifield resin, 1 percent DVB cross-linking, DF 11 percent

Conditions

Conditions	Yield
Stage #1: Merrifield resin, 1 percent DVB cross-linking, DF 11 percent With 4,4'-di-tert-butylbiphenyl; lithium In tetrahydrofuran at 20℃; for 24h; Stage #2: pentan-3-one In tetrahydrofuran at -40℃; for 24h; Stage #3: With water In tetrahydrofuran	100%

: 96-22-0
pentan-3-one

Merrifield resin, 2 percent DVB cross-linking, DF 57 percent: Merrifield resin, 2 percent DVB cross-linking, DF 57 percent

Et2CO-modified Merrifield resin, 2 percent DVB cross-linking, DF 57 percent: Et2CO-modified Merrifield resin, 2 percent DVB cross-linking, DF 57 percent

Conditions

Conditions	Yield
Stage #1: Merrifield resin, 2 percent DVB cross-linking, DF 57 percent With 4,4'-di-tert-butylbiphenyl; lithium In tetrahydrofuran at 20℃; for 24h; Stage #2: pentan-3-one In tetrahydrofuran at -78℃; for 24h; Stage #3: With water In tetrahydrofuran	100%

: 637-60-5
p-tolylhydrazine hydrochloride

: 96-22-0
pentan-3-one

: 73177-34-1
2-ethyl-3,5-dimethyl-1H-indole

Conditions

Conditions	Yield
at 250℃; for 0.0166667h; Fischer indole synthesis;	100%

: 96-22-0
pentan-3-one

: 479-27-6
naphthalene-1,8-diamine

: 43057-66-5
2,2-diethyl-2,3-dihydro-1H-perimidine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In propan-1-ol for 2h; Reflux;	100%
With boron trifluoride monohydrate at 0 - 20℃; for 2h;	91%
With squaric acid In water at 80℃; for 0.333333h; Green chemistry;	91%

: 1445-45-0
Trimethyl orthoacetate

: 96-22-0
pentan-3-one

: 25636-49-1
3,3-dimethoxypentane

Conditions

Conditions	Yield
With p-toluenesulfonic acid monohydrate; sodium methylate In methanol	100%
With p-toluenesulfonic acid monohydrate In methanol at 5 - 20℃; for 3.5h;	100%

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 96-22-0
pentan-3-one

: 10025-87-3, 12599-09-6, 63736-95-8
trichlorophosphate

: 1679-39-6
3-chloro-2-methylpent-2-enal

Conditions

Conditions	Yield
Stage #1: N,N-dimethyl-formamide; trichlorophosphate With N,N-dimethyl-formamide; pentan-3-one at 0 - 20℃; for 6h; Stage #2: pentan-3-one	100%

...Expand

: 96-22-0
pentan-3-one

: 6630-33-7
ortho-bromobenzaldehyde

: 70913-21-2, 74532-86-8, 70968-46-6
(E)-1-bromo-2-(2-methylethenyl)benzene

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In hexane for 2h; Inert atmosphere; Schlenk technique; Reflux; stereoselective reaction;	100%
With boron trifluoride diethyl etherate In hexane for 2h; Reflux;	48%
With boron trifluoride diethyl etherate In hexane for 1h; Inert atmosphere; Reflux;	30%
With boron trifluoride diethyl etherate In hexane at 20℃; for 18h;

: 96-22-0
pentan-3-one

: 109-94-4
formic acid ethyl ester

: 1-hydroxy-2-methyl-1-penten-3-one potassium salt

Conditions

Conditions	Yield
With potassium hydride In methanol; benzene at 5 - 20℃;	100%

: 1150222-64-2
ethyl 5-bromo-2-ethylthiophene-3-carboxylate

: 96-22-0
pentan-3-one

: 1150222-86-8
ethyl 2-ethyl-5-(1-ethyl-1-hydroxypropyl)thiophene-3-carboxylate

Conditions

Conditions	Yield
Stage #1: ethyl 5-bromo-2-ethylthiophene-3-carboxylate With isopropylmagnesium bromide In tetrahydrofuran at -45℃; Inert atmosphere of argon; Stage #2: pentan-3-one In tetrahydrofuran at -45 - 20℃; Stage #3: With water; ammonium chloride In tetrahydrofuran	100%

: 27032-63-9
5-chloro-pyridin-2-yl hydrazine

: 96-22-0
pentan-3-one

: pentan-3-one (5-chloropyridin-2-yl)hydrazone

Conditions

Conditions	Yield
In ethanol for 0.5h; Reflux;	100%

: 96-22-0
pentan-3-one

: 218906-61-7
methyl 5-thio-β-L-arabinopyranoside

: (3aR,6S,7R,7aR)-2,2-diethyl-6-methoxytetrahydro-3aH-thiopyrano[3,4-d][1,3]dioxol-7-ol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid; trimethyl orthoformate In methanol at 20℃; under 760.051 Torr; for 17h; Inert atmosphere;	100%

: 16357-40-7
3-acetyl-4-hydroxybenzoic acid

: 96-22-0
pentan-3-one

: 2,2-diethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid

Conditions

Conditions	Yield
With pyrrolidine at 95℃; Temperature;	100%

: 625-16-1
tert-amyl acetate

: 1438279-73-2
(2S,3R,4R)-2-(pentyloxy)-1-tosylpyrrolidine-3,4-diol

: 96-22-0
pentan-3-one

: (3aR,4S,6aR)-2,2-diethyl-4-(pentyloxy)-5-tosyltetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In dichloromethane at 40℃; for 4h;	99.9%

...Expand

: 1576-35-8
toluene-4-sulfonic acid hydrazide

: 96-22-0
pentan-3-one

: 28495-72-9
4-methyl-N’-(pentan-3-ylidene)-benzenesulfonohydrazide

Conditions

Conditions	Yield
In methanol at 20℃; Inert atmosphere;	99.5%
	80%
In methanol at 20℃; Inert atmosphere;	77%

: 99-51-4
4-nitro-o-xylene

: 96-22-0
pentan-3-one

: 105336-31-0
N,N-diethyl-3,4-dimethylaniline

Conditions

Conditions	Yield
With palladium on activated charcoal; platinum on activated charcoal; hydrogen at 65 - 80℃; under 1500.15 - 5625.56 Torr; for 6h; Pressure; Autoclave;	99.1%

: 75-07-0
acetaldehyde

: 96-22-0
pentan-3-one

: 108161-63-3, 108167-08-4, 89794-67-2
2-hydroxy-3-methyl-4-hexanone

Conditions

Conditions	Yield
Stage #1: pentan-3-one With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.666667h; Inert atmosphere; Stage #2: acetaldehyde In tetrahydrofuran; hexane at -78℃; for 1.66667h; Inert atmosphere;	99%
Stage #1: pentan-3-one With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.333333h; Stage #2: acetaldehyde In tetrahydrofuran; hexane at -78 - 0℃;	70%
With potassium hydroxide

: 540-63-6
ethane-1,2-dithiol

: 96-22-0
pentan-3-one

: 26733-25-5
2,2-diethyl-[1,3]dithiolane

Conditions

Conditions	Yield
With cobalt(II) bromide In dichloromethane for 0.5h; Ambient temperature;	99%
With silica gel; zirconium(IV) chloride In dichloromethane Ambient temperature; < 5 min;	96%
With silica gel; bis(trimethylsilyl)sulphate In dichloromethane for 3h; Ambient temperature;	95%

: 873-77-8
(4-chlorphenyl)magnesium bromide

: 96-22-0
pentan-3-one

: 76481-35-1
3-(4'-chlorophenyl)pentan-3-ol

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃;	99%
In tetrahydrofuran for 0.5h;

: 96-22-0
pentan-3-one

: 2,4,4-trimethyl-1,3-dioxa-2-silacyclohexane

A: 2-(1-Ethyl-propoxy)-2,4,4-trimethyl-[1,3,2]dioxasilinane

B: bis(2,4,4-trimethyl-1,3-dioxa-2-silacyclohexan)-2-yl ether

Conditions

Conditions	Yield
With potassium hydroxide In hexane at 60℃; for 1h;	A 99% B n/a

...Expand

: 96-22-0
pentan-3-one

: 3641-06-3
1,5-diethyl-1H-tetrazole

Conditions

Conditions	Yield
With tin(ll) chloride; trimethylsilylacetylene at 55℃; for 20h;	99%
With trifluorormethanesulfonic acid; trimethylsilylazide at 20℃; for 6h; Schmidt Reaction; Inert atmosphere; Sealed tube;	66%

3-Pentanone Consensus Reports

Reported in EPA TSCA Inventory.

3-Pentanone Standards and Recommendations

OSHA PEL: TWA 200 ppm
ACGIH TLV: TWA 200 ppm; STEL 300 ppm
DOT Classification: 3; Label: Flammable Liquid

3-Pentanone Specification

The Diethyl ketone is an organic compound with the formula C₅H₁₀O. The IUPAC name of this chemical is pentan-3-one. With the CAS registry number 96-22-0, it is also named as Methylbutanone. The product's categories are Industrial/Fine Chemicals; Organics; ketone. Besides, it is a colourless liquid, which should be stored in a cool and ventilated place. It is used as solvent and drug synthesis intermediates.

Physical properties about Diethyl ketone are: (1)ACD/LogP: 0.91; (2)ACD/LogD (pH 5.5): 0.91; (3)ACD/LogD (pH 7.4): 0.91; (4)ACD/BCF (pH 5.5): 2.87; (5)ACD/BCF (pH 7.4): 2.87; (6)ACD/KOC (pH 5.5): 74.05; (7)ACD/KOC (pH 7.4): 74.05; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.383; (12)Molar Refractivity: 25.24 cm³; (13)Molar Volume: 108.1 cm³; (14)Polarizability: 10×10^-24cm³; (15)Surface Tension: 22.6 dyne/cm; (16)Density: 0.796 g/cm³; (17)Flash Point: 12.8 °C; (18)Enthalpy of Vaporization: 34.03 kJ/mol; (19)Boiling Point: 101 °C at 760 mmHg; (20)Vapour Pressure: 35.8 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-ethyl-2-hydroxy-butyric acid. This reaction will need reagent chromic acid.

Uses of Diethyl ketone: it can be used to produce 2,2-diethyl-benzo[1,3]dioxole. It will need reagent phosphorus (V)-oξde.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and may cause skin dryness or cracking. Please keep away from sources of ignition - No smoking. Besides, this chemical is irritating to respiratory system and may cause drowsiness and dizziness. When you are using it, avoid contact with eyes and take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC)CC
(2)InChI: InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
(3)InChIKey: FDPIMTJIUBPUKL-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
(5)Std. InChIKey: FDPIMTJIUBPUKL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	513mg/kg (513mg/kg)		Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.
mouse	LD50	oral	3100mg/kg (3100mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: ATAXIA	Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (4), Pg. 41, 1997.
rabbit	LD50	skin	20mL/kg (20mL/kg)		AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat	LCLo	inhalation	8000ppm/4H (8000ppm)		AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat	LD50	oral	2140mg/kg (2140mg/kg)		Union Carbide Data Sheet. Vol. 4/25/1958,
rat	LDLo	intraperitoneal	1250mg/kg (1250mg/kg)		Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 1, 1945.

Product Name

3-Pentanone

Synthetic route

3-Pentanone Consensus Reports

3-Pentanone Standards and Recommendations

3-Pentanone Specification

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