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Basic Information
CAS No.: 563-80-4
Name: 2-Acetylpropane
Article Data: 328
Molecular Structure:
Molecular Structure of 563-80-4 (2-Acetylpropane)
Formula: C5H10O
Molecular Weight: 86.1338
Synonyms: 2-Acetylpropane;2-Methylbutan-3-one;Isopropyl methyl ketone;MIPK;Methylisopropyl ketone;
EINECS: 209-264-3
Density: 0.793 g/cm3
Melting Point: -92 °C(lit.)
Boiling Point: 78.3 °C at 760 mmHg
Flash Point: 6 °C
Solubility: 6 g/L (20 ºC)
Appearance: clear colourless liquid
Hazard Symbols: FlammableF
Risk Codes: 11
Safety: 9-16-33
Transport Information: UN 2397 3/PG 2
PSA: 17.07000
LogP: 1.23140
Synthetic route
630-19-3

pivalaldehyde

563-80-4

3-methyl-butan-2-one

Conditions
ConditionsYield
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
ConditionsYield
With tributylstibine at 50℃; for 9h;A n/a
B 98%
5508-40-7

4-methyl-N'-(3-methylbutan-2-ylidene)benzenesulfonohydrazide

563-80-4

3-methyl-butan-2-one

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With tributylstibine at 90℃; for 8h;A n/a
B 94%
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
ConditionsYield
With tributylstibine at 70℃; for 5h;A n/a
B 92%
617-67-4

3-methyl-butan-2-one semicarbazone

563-80-4

3-methyl-butan-2-one

Conditions
ConditionsYield
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
ConditionsYield
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

563-46-2

2-Methyl-1-butene

563-80-4

3-methyl-butan-2-one

Conditions
ConditionsYield
With tert.-butylhydroperoxide90%
630-19-3

pivalaldehyde

563-80-4

3-methyl-butan-2-one

Conditions
ConditionsYield
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%
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Chemistry

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

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.

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).

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect 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.

Safety Profile

Hazard Codes: FlammableF
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

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.