3-Methyl-2-butanone supplier

Name
2-Acetylpropane
EINECS 209-264-3
CAS No. 563-80-4
Article Data328
CAS DataBase
Density 0.793 g/cm³
Solubility 6 g/L (20 ºC)
Melting Point -92 °C(lit.)
Formula C₅H₁₀O
Boiling Point 78.3 °C at 760 mmHg
Molecular Weight 86.1338
Flash Point 6 °C
Transport Information UN 2397 3/PG 2
Appearance clear colourless liquid
Safety 9-16-33
Risk Codes 11
Molecular Structure
Hazard Symbols F
Synonyms 2-Acetylpropane;2-Methylbutan-3-one;Isopropyl methyl ketone;MIPK;Methylisopropyl ketone;
PSA 17.07000
LogP 1.23140

Synthetic route

: 630-19-3
pivalaldehyde

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With fluoroboric acid Rearrangement;	100%
With gallium(III) trichloride; methyl cyclohexane In 1,2-dichloro-ethane at 20℃; for 1h;	61%
With hydrogenchloride In water at 250℃; under 37503.8 Torr; for 1h; Sealed tube; Inert atmosphere;	59%

: 100-52-7
benzaldehyde

: 19967-55-6
1-bromo-3-methyl-2-butanone

A: 563-80-4
3-methyl-butan-2-one

B: 3160-32-5
4-methyl-1-phenyl-1-penten-3-one

Conditions

Conditions	Yield
With tributylstibine at 50℃; for 9h;	A n/a B 98%

...Expand

: 5508-40-7
4-methyl-N'-(3-methylbutan-2-ylidene)benzenesulfonohydrazide

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With silica gel; copper(II) nitrate In tetrachloromethane for 1h; Heating;	97%

: 598-75-4
3-methyl-2-butanol

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With water; dihydrogen peroxide; tetra(n-butyl)ammonium hydrogensulfate; sodium tungstate at 100℃; for 0.166667h; Oxidation; microwave irradiation;	94%
With potassium permanganate; Rexyn 101 H ion exchange resin In dichloromethane for 4.3h; Heating;	92%
In neat (no solvent) at 20℃; for 0.0666667h; Microwave irradiation;	89%

: 66-25-1
hexanal

: 19967-55-6
1-bromo-3-methyl-2-butanone

A: 563-80-4
3-methyl-butan-2-one

B: 122657-49-2
3-methyl-4E-decen-3-one

Conditions

Conditions	Yield
With tributylstibine at 90℃; for 8h;	A n/a B 94%

...Expand

: 930-96-1
3-bromo-2-thiophenecarboxaldehyde

: 19967-55-6
1-bromo-3-methyl-2-butanone

A: 563-80-4
3-methyl-butan-2-one

B: 122657-50-5
1-(3-bromo-2-thiophenyl)-4-methyl-1E-penten-3-one

Conditions

Conditions	Yield
With tributylstibine at 70℃; for 5h;	A n/a B 92%

...Expand

: 617-67-4
3-methyl-butan-2-one semicarbazone

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With (Bu4N)2S2O8 In 1,2-dichloro-ethane at 80℃; for 1.5h; oxidative cleavage;	92%
With potassium carbonate In water at 9.9℃; Kinetics; Mechanism; Thermodynamic data; E(activ.), ΔG(excit.), ΔH(excit.), ΔS(excit.); other temperatures;

: 10473-14-0
3-methyl-3-buten-2-ol

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With diiron nonacarbonyl In benzene at 40 - 50℃; for 2.5h;	90%
With triiron dodecarbonyl at 25 - 30℃; for 2h; Irradiation;	88%
With sulfuric acid at 100℃;

molybdenum naphthenate: molybdenum naphthenate

: 7732-18-5
water

: 563-46-2
2-Methyl-1-butene

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With tert.-butylhydroperoxide	90%

...Expand

: 630-19-3
pivalaldehyde

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With fluoroboric acid Rearrangement;	100%
With gallium(III) trichloride; methyl cyclohexane In 1,2-dichloro-ethane at 20℃; for 1h;	61%
With hydrogenchloride In water at 250℃; under 37503.8 Torr; for 1h; Sealed tube; Inert atmosphere;	59%

: 100-52-7
benzaldehyde

: 19967-55-6
1-bromo-3-methyl-2-butanone

A: 563-80-4
3-methyl-butan-2-one

B: 3160-32-5
4-methyl-1-phenyl-1-penten-3-one

Conditions

Conditions	Yield
With tributylstibine at 50℃; for 9h;	A n/a B 98%

...Expand

: 5508-40-7
4-methyl-N'-(3-methylbutan-2-ylidene)benzenesulfonohydrazide

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With silica gel; copper(II) nitrate In tetrachloromethane for 1h; Heating;	97%

: 598-75-4
3-methyl-2-butanol

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With water; dihydrogen peroxide; tetra(n-butyl)ammonium hydrogensulfate; sodium tungstate at 100℃; for 0.166667h; Oxidation; microwave irradiation;	94%
With potassium permanganate; Rexyn 101 H ion exchange resin In dichloromethane for 4.3h; Heating;	92%
In neat (no solvent) at 20℃; for 0.0666667h; Microwave irradiation;	89%

: 66-25-1
hexanal

: 19967-55-6
1-bromo-3-methyl-2-butanone

A: 563-80-4
3-methyl-butan-2-one

B: 122657-49-2
3-methyl-4E-decen-3-one

Conditions

Conditions	Yield
With tributylstibine at 90℃; for 8h;	A n/a B 94%

...Expand

: 930-96-1
3-bromo-2-thiophenecarboxaldehyde

: 19967-55-6
1-bromo-3-methyl-2-butanone

A: 563-80-4
3-methyl-butan-2-one

B: 122657-50-5
1-(3-bromo-2-thiophenyl)-4-methyl-1E-penten-3-one

Conditions

Conditions	Yield
With tributylstibine at 70℃; for 5h;	A n/a B 92%

...Expand

: 617-67-4
3-methyl-butan-2-one semicarbazone

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With (Bu4N)2S2O8 In 1,2-dichloro-ethane at 80℃; for 1.5h; oxidative cleavage;	92%
With potassium carbonate In water at 9.9℃; Kinetics; Mechanism; Thermodynamic data; E(activ.), ΔG(excit.), ΔH(excit.), ΔS(excit.); other temperatures;

: 10473-14-0
3-methyl-3-buten-2-ol

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With diiron nonacarbonyl In benzene at 40 - 50℃; for 2.5h;	90%
With triiron dodecarbonyl at 25 - 30℃; for 2h; Irradiation;	88%
With sulfuric acid at 100℃;

molybdenum naphthenate: molybdenum naphthenate

: 7732-18-5
water

: 563-46-2
2-Methyl-1-butene

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With tert.-butylhydroperoxide	90%

...Expand

: 78-79-5
isoprene

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With water at 180 - 250℃; under 750.075 Torr;	89.4%
With oxygen; Amberlyst 15 acid resin at 20℃; for 12h; Product distribution / selectivity; Gas phase;

: 96-17-3, 57456-98-1
2-Methylbutyraldehyde

: 78-79-5
isoprene

A: 563-80-4
3-methyl-butan-2-one

B: 513-35-9
2-methyl-but-2-ene

C: 563-45-1
3-Methyl-1-butene

D: 630-19-3
pivalaldehyde

E C2-C4 hydrocarbons: C2-C4 hydrocarbons

Conditions

Conditions	Yield
With steam; calcium phosphate catalyst TU 103-134-72 at 380℃; Product distribution; Rate constant; Kinetics; other conditions - var. space velocity of adding reagent, var. dilution with steam, var. temp., var. contact time, other object - activation energy data;;	A 8.2% B n/a C n/a D 0.6% E n/a

...Expand

: 123-54-6
acetylacetone

A: 563-80-4
3-methyl-butan-2-one

B: 107-87-9
2-Pentanone

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid; zinc for 2h; Heating;	A 79% B 21%
With hydrogenchloride; acetic acid; zinc for 2h; Product distribution; Mechanism; Heating; further co-reagents: LiCl, TFA; also amalgamated zinc; further β-dicarbonal substrates;	A 79% B 21%

: 597-04-6
ethyl 2,2-dimethyl-3-oxobutanoate

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
Stage #1: ethyl 2,2-dimethyl-3-oxobutanoate With sodium hydroxide In water at 20℃; for 2.5h; Stage #2: With sulfuric acid In water for 1h; Heating;	77%
With water at 250℃; unter Druck;
With potassium hydroxide

: (CH2C(OSi(CH3)3)C(CH3)2)Fe(CO)2NO

: 1521-51-3
rac-3-bromocyclohexene

A: 563-80-4
3-methyl-butan-2-one

B: (π-cyclohexenyl)dicarbonylnitrosyl iron

Conditions

Conditions	Yield
In dichloromethane Refluxing of Fe-complex (prepd. in situ) and ((CH2)3)CCHCH2Br with stirring for 2 h.; Cooling, chromy. (silica gel, hexane-ethylacetate) gives iron complex and 3-methyl-2-butanone.;	A n/a B 76%

...Expand

: (CH2C(OSi(CH3)3)C(CH3)2)Fe(CO)2NO

: 106-95-6
allyl bromide

A: 563-80-4
3-methyl-butan-2-one

B: (ϖ-allyl)(dicarbonylnitrosyl)iron

Conditions

Conditions	Yield
In dichloromethane Refluxing of Fe-complex (prepd. in situ) and allybromide with stirring for 2 h.; Cooling, chromy. (silica gel, hexane-ethylacetate) gives iron complex and 3-methyl-2-butanone.;	A n/a B 75%

...Expand

: 5076-19-7
trimethyloxirane

A: 563-80-4
3-methyl-butan-2-one

B: 10473-14-0
3-methyl-3-buten-2-ol

Conditions

Conditions	Yield
With magnesium bromide In N,N-dimethyl-formamide at 130℃; for 0.5h;	A 72.3% B 27.7%
With 3-chlorobenzoate; methanesulfonic acid In dichloromethane-d2 at 26.5℃; Product distribution; various conc. of methanesulfonic acid in the presence and absence of 3-chlorobenzoic acid;	A 15% B 55%
With 3-chlorobenzoate; methanesulfonic acid In dichloromethane-d2 at 26.5℃;	A 15% B 55%
With magnesium bromide In dimethyl sulfoxide at 130℃; for 3.5h; Product distribution; Kinetics; Further Variations:; Solvents;
With magnesium bromide In chloroform at 130℃; Kinetics; Further Variations:; Solvents; Temperatures;	A 94.1 % Chromat. B 5.9 % Chromat.

: 69561-99-5
3-Methyl-1-trimethylsilanyl-butan-2-one

A: 563-80-4
3-methyl-butan-2-one

B: 19967-55-6
1-bromo-3-methyl-2-butanone

Conditions

Conditions	Yield
With bromine In tetrachloromethane 1.) -20 deg C, 2.) room temperature; Yields of byproduct given;	A n/a B 70%

: 78-78-4
methylbutane

A: 563-80-4
3-methyl-butan-2-one

B: 75-85-4
tert-Amyl alcohol

C: 96-17-3, 57456-98-1
2-Methylbutyraldehyde

D: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
With [2,2]bipyridinyl; Ba; trifluoroacetic acid In dichloromethane at 20℃; for 0.0333333h;	A 11% B 70% C 4.5% D n/a
With [2,2]bipyridinyl; Ba; trifluoroacetic acid In dichloromethane at 20℃; for 0.0333333h; Product distribution;	A 11% B 70% C 4.5% D n/a

...Expand

: 920-39-8
isopropylmagnesium bromide

: 185245-65-2
3-methylthio-3-N-piperidino-1-phenyl-2-propen-1-one

A: 563-80-4
3-methyl-butan-2-one

B: 611-70-1
phenyl isopropyl ketone

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether for 4h; Ambient temperature;	A n/a B 69%

...Expand

: 5396-58-7
2-methyl-2,3-butanediol

A: 563-80-4
3-methyl-butan-2-one

B: 78-84-2
isobutyraldehyde

Conditions

Conditions	Yield
With poly(3,4-ethylenedioxythiophene) In n-heptane Reflux; Inert atmosphere;	A 69% B 14%

: (CH2C(OSi(CH3)3)C(CH3)2)Fe(CO)2NO

: 4392-24-9
3-bromo-1-phenyl-1-propenyl bromide

A: 563-80-4
3-methyl-butan-2-one

B: (1-phenyl-π-allyl)dicarbonylnitrosyl iron

Conditions

Conditions	Yield
In dichloromethane Refluxing of Fe-complex (prepd. in situ) and phenylallybromide with stirring for 2 h.; Cooling, chromy. (silica gel, hexane-ethylacetate) gives iron complex and 3-methyl-2-butanone.;	A n/a B 68%

...Expand

: 86553-87-9, 86554-05-4
((2R,3S)-3-Isopropyl-oxiranyl)-trimethyl-silane

A: 563-80-4
3-methyl-butan-2-one

B: 112969-05-8
3-Methyl-2-trimethylsilanyloxy-butyraldehyde

Conditions

Conditions	Yield
With 4-nitraminopyridine N-oxide; trimethylsilyl trifluoromethanesulfonate for 4.5h; Ambient temperature;	A 66% B 33%
With 4-nitraminopyridine N-oxide; trimethylsilyl trifluoromethanesulfonate for 2h; Ambient temperature;	A 56% B 34%

: 17649-87-5
3-methyl-4,4-bis(methylthio)but-3-en-2-one

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With dichloro(N,N,N’,N‘-tetramethylethylenediamine)zinc; zinc In ethanol for 25h; Heating;	65%

: 69561-99-5
3-Methyl-1-trimethylsilanyl-butan-2-one

A: 563-80-4
3-methyl-butan-2-one

B: 17687-63-7
1-chloro-3-methylbutan-2-one

Conditions

Conditions	Yield
With sulfuryl dichloride; triethylamine In dichloromethane 1.) 0 deg C, 2.) room temperature; Yields of byproduct given;	A n/a B 64%

: 115-22-0
3-Hydroxy-3-methyl-2-butanone

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With lithium diphenylphosphide In tetrahydrofuran Product distribution; Ambient temperature; other α-hydroxy ketones;	60%
Multi-step reaction with 2 steps 1: Raney nickel; water / 70 °C / 56634.1 Torr / Hydrogenation 2: aluminium oxide / 275 °C View Scheme
Multi-step reaction with 2 steps 1: 485 °C / Pyrolysis.Reaktion des Essigsaeureesters 2: Raney nickel; ethanol / 20 - 32 °C / Hydrogenation.unter Druck View Scheme
Multi-step reaction with 2 steps 1: p-toluenesulfonic acid / 150 °C 2: nickel; kieselguhr; pentane / 25 °C View Scheme
Multi-step reaction with 2 steps 1: sodium; ethanol 2: H2SO4 / beim Destillieren View Scheme

: 213267-13-1
1-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-propanol

A: 563-80-4
3-methyl-butan-2-one

B: 120-80-9
benzene-1,2-diol

Conditions

Conditions	Yield
With hydrogenchloride; water at 250℃; under 37503.8 Torr; for 3h; Sealed tube; Inert atmosphere;	A 24% B 53%

: 1438-14-8
2-isopropyloxirane

A: 563-80-4
3-methyl-butan-2-one

B: 763-32-6
2-methyl-1-buten-4-ol

C: 35158-25-9
2-isopropyl-5-methyl-hex-2-enal

D 3-methyl-2-buten-1-ol: 3-methyl-2-buten-1-ol

Conditions

Conditions	Yield
With magnesium bromide In N,N-dimethyl-formamide at 130℃; for 0.666667h; Further byproducts given;	A 52.2% B 23.2% C 8.7% D 13.7%

...Expand

methyl iodide: methyl iodide

A: 563-80-4
3-methyl-butan-2-one

B: 78-93-3
butanone

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide In tetrahydrofuran for 12h; Ambient temperature;	A 21% B 51%

...Expand

: 7410-52-8
isopropyl methyl ketone thiosemicarbazone

: 563-80-4
3-methyl-butan-2-one

Conditions

Conditions	Yield
With nickel(II) perchlorate In ethanol for 5h; Heating;	46.93%

3-Methyl-2-butanone Chemical Properties

Molecular Structure of 3-Methyl-2-butanone (CAS NO.563-80-4):

Empirical Formula: C₅H₁₀O
Molecular Weight: 86.1323
IUPAC Name: 3-methylbutan-2-one
Synonyms of 3-Methyl-2-butanone (CAS NO.563-80-4): 2-Acetyl propane ; 2-Acetylpropane ; 2-Methyl-3-butanone ; 3-Methyl-2-butanone ; AI3-24194 ; Caswell No. 555A ; EINECS 209-264-3 ; EPA Pesticide Chemical Code 044104 ; Isopropyl methyl ketone ; Ketone, isopropyl methyl ; MIPK ; Methyl butanone-2 ; Methylbutanone (VAN) ; NSC 9379
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 17.07Å²
Index of Refraction: 1.38
Molar Refractivity: 25.2 cm³
Molar Volume: 108.5 cm³
Surface Tension: 21.4 dyne/cm
Density: 0.793 g/cm³
Enthalpy of Vaporization: 31.92 kJ/mol
Boiling Point: 78.3 °C at 760 mmHg
Vapour Pressure: 93.3 mmHg at 25°C
Melting point: −92 °C(lit.)
EINECS: 209-264-3
Product Categories: Industrial/Fine Chemicals; Organics; ketone
InChI
InChI=1/C5H10O/c1-4(2)5(3)6/h4H,1-3H3
Smiles
C(C(C)=O)(C)C

3-Methyl-2-butanone Uses

3-Methyl-2-butanone (CAS NO.563-80-4) is mainly used as a solvent and otherwise it also can be used as dye intermediates, synthesis of medicine, pesticide, mineral processing and other industries.

3-Methyl-2-butanone Production

By Adding Bromine into tert-AMYL ALCOHOL to get the 2,3-dibromo-2-methylbutane.And then adding WATER to return backflow for 3-5hours till the hydrolyze completely.Then we can get the 3-Methyl-2-butanone (CAS NO.563-80-4).

3-Methyl-2-butanone Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)	"Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4737, 1982.
mouse	LD50	oral	2572mg/kg (2572mg/kg)	Toxicology Letters. Vol. 30, Pg. 13, 1986.
rabbit	LD50	skin	6350mg/kg (6350mg/kg)	Food and Cosmetics Toxicology. Vol. 16, Pg. 819, 1978.
rat	LCLo	inhalation	5700ppm/4H (5700ppm)	Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat	LD50	intraperitoneal	800mg/kg (800mg/kg)	"Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4737, 1982.
rat	LD50	oral	148mg/kg (148mg/kg)	Shell Chemical Company. Unpublished Report. Vol. -, Pg. 7, 1961.

3-Methyl-2-butanone Safety Profile

Hazard Codes: F
Risk Statements: 11
R11:Highly flammable.
Safety Statements: 9-16-33
S9:Keep container in a well-ventilated place.
S16:Keep away from sources of ignition.
S33:Take precautionary measures against static discharges.
RIDADR: UN 2397 3/PG 2
WGK Germany: 1
RTECS: EL9100000
Hazard Note: Highly Flammable
HazardClass: 3
PackingGroup: II
HS Code: 29141990

3-Methyl-2-butanone Specification

3-Methyl-2-butanone (CAS NO.563-80-4) is a highly flammable liquid ketone, so you should keep it far away from fire. besides, it will explosive when mixed with combustible material.

Product Name

2-Acetylpropane

Synthetic route

3-Methyl-2-butanone Chemical Properties

3-Methyl-2-butanone Uses

3-Methyl-2-butanone Production

3-Methyl-2-butanone Toxicity Data With Reference

3-Methyl-2-butanone Safety Profile

3-Methyl-2-butanone Specification

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