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| CAS No.: | 563-80-4 |
|---|---|
| Name: | 2-Acetylpropane |
| Article Data: | 328 |
| Molecular Structure: | |
|
|
|
| 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: |
 F
|
| Risk Codes: | 11 |
| Safety: | 9-16-33 |
| Transport Information: | UN 2397 3/PG 2 |
| PSA: | 17.07000 |
| LogP: | 1.23140 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| 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 | Yield |
|---|---|
| With tributylstibine at 50℃; for 9h; | A n/a B 98% |
| Conditions | Yield |
|---|---|
| With silica gel; copper(II) nitrate In tetrachloromethane for 1h; Heating; | 97% |
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With tributylstibine at 70℃; for 5h; | A n/a B 92% |
| 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 | 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℃; |
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide | 90% |
| 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% |
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Chemistry
Molecular Structure of 3-Methyl-2-butanone (CAS NO.563-80-4):
.gif)
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
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: 
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
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.