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67-64-1

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Basic Information
CAS No.: 67-64-1
Name: Acetone
Molecular Structure:
Molecular Structure of 67-64-1 (Acetone)
Formula: C3H6O
Molecular Weight: 58.08
Synonyms: Dimethyl ketone;Dimethylformaldehyde;NSC 135802;Propanone;Pyroacetic ether;beta-Ketopropane;Acetone(8CI);Methyl ketone (6CI);2-Propanone;
EINECS: 200-662-2
Density: 0.773 g/cm3
Melting Point: -95--93 °C, 178-180 K, -139--136 °F
Boiling Point: 56-57 °C, 329-330 K, 133-134 °F
Flash Point: -17 °C
Solubility: soluble in water
Appearance: clear colorless liquid
Hazard Symbols: FlammableF,IrritantXi
Risk Codes: 11-36-66-67
Safety: 9-16-26
Transport Information: UN 1090 3/PG 2
PSA: 17.07000
LogP: 0.59530
Synthetic route
67-63-0

isopropyl alcohol

67-64-1

acetone

Conditions
ConditionsYield
With trans-4L1(O)2>ClO4 In acetonitrile at 25℃; for 7h; stoicheiometric oxidation ( electrochemical oxidation in a non-aqueous medium (acetonitrile), an Ag-AgNO3 reference electrode;100%
With C19H20N3O2Ru(2+)*2F6P(1-) In aq. buffer at 24.84℃; for 1h; pH=1.8; Thermodynamic data; Activation energy; Reagent/catalyst;100%
With tert-butylethylene; C32H52ClIrP2; sodium t-butanolate at 200℃; for 2h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Glovebox;100%
110-86-1

pyridine

31562-43-3

tert-butylsulfinyl chloride

A

628-13-7

pyridine hydrochloride

B

67-64-1

acetone

C

pyridinium tert-butylsulfonate

D

75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With tert.-butylhydroperoxide In chloroform at 20℃; for 2h; Further byproducts given;A 100%
B 20%
C 40%
D 55%
76-09-5

2,3-dimethyl-2,3-butane diol

67-64-1

acetone

Conditions
ConditionsYield
With N-Bromosuccinimide; water; potassium carbonate; triphenylbismuthane In acetonitrile for 2h;100%
With tert.-butylhydroperoxide; bis(acetylacetonato)dioxidomolybdenum(VI) In chlorobenzene at 60℃; for 24h;99%
With tert.-butylhydroperoxide; chromium tetra(tert-butoxide) In benzene at 20℃; for 24h;90%
3968-30-7

5-cyclopentylidene-2,2-dimethyl-1,3-dioxane-4,6-dione

A

2873-50-9

butatriene

B

74-85-1

ethene

C

124-38-9

carbon dioxide

D

1165952-91-9

cyclohexa-1,3-diene

E

67-64-1

acetone

F

71-43-2

benzene

Conditions
ConditionsYield
With variation of temp. at 550℃; Product distribution;A 4%
B 11.9%
C 100%
D 39.2%
E 101.9 %
F 3.3%
110-82-7

cyclohexane

84210-61-7

perpentene-4 oate de tertiobutyle

A

92-51-3

cyclohexylcyclohexane

B

1678-93-9

butylcyclohexane

C

96009-79-9

cyclohexyl-5 pentanolide-4

D

67-64-1

acetone

E

108-29-2

5-methyl-dihydro-furan-2-one

F

75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
at 120℃; for 4h; Product distribution; Mechanism; different ratios of reactant, reactants, reaction times and temperatures;A 5%
B 5%
C 35%
D n/a
E 1%
F 100%
110-82-7

cyclohexane

80037-90-7

1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxoyl radical

37421-16-2

2-(t-butylazo)prop-2-yl hydroperoxide

A

89482-40-6

2-cyclohexyloxy-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole

B

93524-81-3

2-tert-butoxy-1,1,3,3-tetramethylisoindoline

C

67-64-1

acetone

D

115-11-7

isobutene

Conditions
ConditionsYield
at 70℃; for 17h; Mechanism; Rate constant; Thermodynamic data; var. of nitroxide, solvent, temp., EA, ΔH(excit.), ΔS(excit.);A 96%
B 82%
C 100%
D 15%
83073-73-8

2-(octylsulfonyl)ethyl tert-butyl peroxide

A

34557-54-5

methane

B

20466-47-1

2-hydroxyethyl octyl sulfone

C

67-64-1

acetone

D

75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
In various solvent(s) at 145℃; Rate constant; Thermodynamic data; E(act.);A n/a
B 100%
C n/a
D n/a
120711-57-1

H-Dmt-Gly-Gly-Ala-OH trifluoroacetate salt

A

120711-58-2

H-Cys-Gly-Gly-Ala-OH

B

67-64-1

acetone

Conditions
ConditionsYield
In ethanol; water Heating;A 100%
B n/a
108-22-5

Isopropenyl acetate

108-95-2

phenol

A

67-64-1

acetone

B

122-79-2

Phenyl acetate

Conditions
ConditionsYield
With potassium carbonate; Aliquat 336 In neat (no solvent) at 70℃; for 0.5h;A n/a
B 100%
With potassium carbonate; Aliquat 336 In neat (no solvent) at 70℃; for 0.5h; Product distribution;A n/a
B 100%
34107-52-3

2,2-dimethyl-5-(phenyl-λ3-iodaneylidene)-1,3-dioxane-4,6-dione

A

2033-24-1

cycl-isopropylidene malonate

B

591-50-4

iodobenzene

C

67-64-1

acetone

Conditions
ConditionsYield
With dirhodium tetraacetate In dichloromethane at 20℃; Product distribution;A 33%
B 100%
C 5%

dimethyl(2,2'-bipyridyl)nickel(II)

A

67552-35-6, 79390-59-3, 79042-98-1

NiCH3(N(CO)2C6H4)(P(C2H5)3)2

B

14917-14-7

Ni(CO)2(2,2'-bipyridine)

C

67-64-1

acetone

Conditions
ConditionsYield
In benzene-d6 40°C, 72 h;A 100%
B n/a
C 33%

CpRe(CO)2(COCH3)(CH3)

603-35-0

triphenylphosphine

A

(η5-C5H5)Re(CO)2(PPh3)

B

67-64-1

acetone

Conditions
ConditionsYield
In 1,4-dioxane; benzene-d6 Kinetics; 100°C (10.25 h);A 100%
B 97%
In benzene-d6 Irradiation (UV/VIS);A 55%
B n/a
56-23-5

tetrachloromethane

CpRe(CO)2(COCH3)(CH3)

A

tricarbonylcyclopentadienylrhenium

B

75-36-5

acetyl chloride

C

431-03-8

dimethylglyoxal

D

67-64-1

acetone

Conditions
ConditionsYield
With CO In dichloromethane-d2 Irradiation (UV/VIS); 355-385 nm; 20 atm CO;;A 100%
B n/a
C n/a
D n/a

CpRe(CO)2(COCH3)(CH3)

4437-51-8

3,4-hexanedione

A

tricarbonylcyclopentadienylrhenium

B

600-14-6

2,3-Pentanedione

C

431-03-8

dimethylglyoxal

D

67-64-1

acetone

Conditions
ConditionsYield
With CO In benzene-d6 Irradiation (UV/VIS); 355-385 nm;;A 100%
B 68%
C 34%
D 10%

CpRe(CO)2(CH3)2

A

tricarbonylcyclopentadienylrhenium

B

431-03-8

dimethylglyoxal

C

67-64-1

acetone

Conditions
ConditionsYield
With CO In dichloromethane-d2 Irradiation (UV/VIS); 20 atm CO;;A 100%
B 79%
C 5%

CpRe(CO)2(COCH3)(CH3)

A

tricarbonylcyclopentadienylrhenium

B

431-03-8

dimethylglyoxal

C

67-64-1

acetone

Conditions
ConditionsYield
With carbon monoxide In dichloromethane-d2 Irradiation (UV/VIS); Irradiation of complex at 350-380 nm under 20 atm of CO in CD2Cl2 at 6-8°C;;A 100%
B 80%
C 8%
With CO In 1,4-dioxane; dichloromethane-d2 Irradiation (UV/VIS); ca. 20 atm CO; 355-385 nm light, 22 min.;A 100%
B 78%
C 6%

(3-(tert-butylperoxy)pentane-3yl)benzene

A

93-55-0

1-phenyl-propan-1-one

B

67-64-1

acetone

C

75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With air In [D3]acetonitrile at 22℃; for 1h; UV-irradiation; Inert atmosphere;A 100%
B 41.9%
C 25.9%
1118-66-7

4-amino-3-penten-2-one

67-64-1

acetone

Conditions
ConditionsYield
at 250℃; for 0.666667h; Heating; Inert atmosphere;99.76%
110-03-2

2,5-dimethyl-2,5-hexanediol

A

123-56-8

Succinimide

B

67-64-1

acetone

Conditions
ConditionsYield
With N-iodo-succinimide In benzene for 0.916667h; Product distribution; Mechanism; Irradiation; varying reaction time;A 88%
B 99%
98-86-2

acetophenone

67-63-0

isopropyl alcohol

A

1445-91-6

(S)-1-phenylethanol

B

67-64-1

acetone

Conditions
ConditionsYield
With cis-[Ru(PPh2)(CH2)5PPh2(ampi)Cl2]; potassium hydroxide at 80℃; for 0.5h; Reagent/catalyst; Concentration; Schlenk technique;A 99%
B n/a
Stage #1: isopropyl alcohol With dichloro(1,5-cyclooctadiene)ruthenium(II); (R)-(6-methoxyquinolin-4-yl)((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methanamine at 20℃; for 0.5h; Inert atmosphere;
Stage #2: With potassium hydroxide for 0.5h; Inert atmosphere;
Stage #3: acetophenone at 0℃; for 96h; Inert atmosphere; enantioselective reaction;
A 83%
B n/a
With potassium hydroxide; oxalyl (1R,2R)-N,N'-bis[2-(amino)cyclohexyl]diamide; tris(triphenylphosphine)ruthenium(II) chloride at 20℃; for 24h; Product distribution; Further Variations:; Reagents;
486-25-9

9-fluorenone

67-63-0

isopropyl alcohol

A

1689-64-1

9-Fluorenol

B

67-64-1

acetone

Conditions
ConditionsYield
With [RuCl2(triphenylphosphine)((6-((3,5-dimethyl-pyrazol-1-yl)pyridin-2-yl)methylene)-p-tolyl-amine)]*0.5Et2O; potassium isopropoxide at 82℃; under 750.075 Torr; for 5.16667h; Inert atmosphere;A 99%
B n/a
With sodium hydroxide; RuCl2(PPh3)(iBu-BTP) at 82℃; under 750.075 Torr; for 9h;A 97 % Chromat.
B n/a

(H2O)5CrC(CH3)2OH(2+)

A

chromium (III) ion

B

67-64-1

acetone

Conditions
ConditionsYield
With Fe(3+) In water; isopropyl alcohol Kinetics; byproducts: H(1+); excess of Fe(3+) in 1 M aq. i-PrOH at 24.8°C under N2 by controlled ionic strength;A n/a
B 99%

ethyl 2-benzoyl-6-methylhept-5-enoate

A

ethyl 2-phenylcyclopent-2-ene-1-carboxylate

B

67-64-1

acetone

Conditions
ConditionsYield
With gold(III) chloride In 1,2-dichloro-ethane at 25℃; Reagent/catalyst; Solvent; Sealed tube;A 99%
B n/a
With N-iodo-succinimide In 1,2-dichloro-ethane at 20℃; for 24h; Reagent/catalyst;A 66%
B n/a

4-fluoro-2-(5-methylhex-4-en-1-yl)benzaldehyde

A

3-fluoro-6,7-dihydro-5H-benzo[7]annulene

B

67-64-1

acetone

Conditions
ConditionsYield
With gold(III) chloride In 1,2-dichloro-ethane at 25℃; Sealed tube;A 99%
B n/a
80-15-9

Cumene hydroperoxide

A

67-64-1

acetone

B

108-95-2

phenol

Conditions
ConditionsYield
With iron(III) perchlorate In acetonitrile Product distribution; var. act.: CuClO4; var. solv.: CH2Cl2, toluene; var. conc.; determination of half life;A 98.9%
B 96.3%
With N-Phenyl-2-naphthylamine; cobalt(II) phthalocyanine In decalin at 40℃; Rate constant; Kinetics; var. temperatures, var. catalysts, var. solvents, without NA;
In chlorobenzene at 75℃; Kinetics; various phosphites;
67-63-0

isopropyl alcohol

A

187737-37-7

propene

B

67-64-1

acetone

Conditions
ConditionsYield
6xSAlH (sulfated alumina) at 246.85℃; Product distribution; Further Variations:; Catalysts; atmospheric pressure;A 98.4%
B 1.6%
bismuth molybdate; bismuth molybdate at 190℃; Product distribution; with Bi2Mo2O9 (β-phase) catalyst;A 12%
B 88%
With cobalt ferrite; oxygen at 299.84℃; for 3h; Autoclave;A 52%
B 40%
75-91-2

tert.-butylhydroperoxide

30931-67-0

2,2'-azinobis-(3-ethyl-2,3-dihydrobenzothiazole-6-sulphonate) diammonium salt

A

67-56-1

methanol

B

50-00-0

formaldehyd

C

C18H18N4O6S4(1+)*2H3N

D

67-64-1

acetone

E

75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
Fe(III)T4MPyP In water at 30℃; Rate constant; Kinetics; Mechanism; the catalyst Fe(III)T4MPyP is 5,10,15,20-tetra(N-methyl-4-pyridyl)-porphyrinatoiron(III) pentachloride; pH 9.2; investigation of the dependence of velocity constant on ionic strength, pH and t-butyl hydroperoxide concentration;A 3%
B n/a
C 72%
D 4%
E 98%
87051-12-5

(4aRS,7aRS)-4a,7a-dihydro-3,3-dimethyl-6,7a-diphenyl-7H-cyclopenta<1,2-e><1,2,4>trioxine

114390-60-2

(1RS,2RS)-1,4-diphenylcyclopent-3-en-1,2 diol

B

67-64-1

acetone

Conditions
ConditionsYield
With acetic acid; zinc at 16℃; for 0.333333h;A 98%
B n/a
99-91-2

para-chloroacetophenone

67-63-0

isopropyl alcohol

A

3391-10-4

1-(p-chlorophenyl)ethyl alcohol

B

67-64-1

acetone

Conditions
ConditionsYield
With C58H49ClN5P2Ru(1+)*Cl(1-); potassium isopropoxide at 82℃; for 0.00555556h; Inert atmosphere;A 98%
B n/a
With sodium hydroxide; RuCl2(PPh3)(iBu-BTP) at 82℃; under 750.075 Torr; for 30h;A 89 % Chromat.
B n/a
With [RuCl2(triphenylphosphine)((6-((3,5-dimethyl-pyrazol-1-yl)pyridin-2-yl)methylene)-p-tolyl-amine)]*0.5Et2O; potassium isopropoxide at 82℃; under 750.075 Torr; for 1.16667h; Inert atmosphere;A 98 %Chromat.
B n/a

NiMe2(PEt3)2

A

16787-33-0

(CO)2Ni(P(C2H5)3)2

B

75-07-0

acetaldehyde

C

431-03-8

dimethylglyoxal

D

67-64-1

acetone

Conditions
ConditionsYield
With carbon monoxide In diethyl ether Et2O soln. of Ni complex stirred under CO at -78°C for 0.2 h, warmed to room temp.; drying up; GLC anal.;A n/a
B 0%
C 0%
D 98%
96-09-3

styrene oxide

67-64-1

acetone

52129-03-0

2,2-dimethyl-4-phenyl-1,3-dioxolane

Conditions
ConditionsYield
With FeOx-pillared bentonite at 30℃; for 0.0833333h; Reagent/catalyst; Time; Temperature; Solvent;100%
erbium(III) triflate at 20℃; for 0.5h;99%
With trichloro(trifluoromethanesulfonato)titanium(IV); n-tetrabutylammonium hydroxide In water for 0.166667h; Ambient temperature;98%
120-57-0

piperonal

67-64-1

acetone

108439-88-9

(1E,4E)-1,5-bis(benzo[d][1,3]dioxol-5-yl)penta-1,4-dien-3-one

Conditions
ConditionsYield
With sodium hydroxide In ethanol for 0.00833333h; Irradiation;100%
With sodium hydroxide In ethanol; water at 20℃;85%
With sodium hydroxide In ethanol; water at 20℃; Aldol Addition;79%
555-16-8

4-nitrobenzaldehdye

67-64-1

acetone

88958-64-9, 88958-65-0, 97600-21-0, 57548-40-0

1-(4-nitrophenyl)-1-hydroxy-3-butanone

Conditions
ConditionsYield
With Zn(2+)-(TyrOEt)2 In water at 40℃; for 24h; pH 7;100%
With sodium hydroxide at 25℃; for 0.166667h;100%
With Fe(OH)3/Fe3O4 at 50℃; for 3h;99%
2004-06-0

6-Chloropurine riboside

67-64-1

acetone

39824-26-5

6-chloro-9-(2,3-O-isopropylidene-β-D-ribofuranosyl)-9H-purine

Conditions
ConditionsYield
With toluene-4-sulfonic acid at 20℃; for 3h;100%
In perchloric acid for 3h; Ambient temperature;94%
With perchloric acid at 25℃;94%
542-92-7

cyclopenta-1,3-diene

67-64-1

acetone

2175-91-9

6,6'-dimethyl fulvene

Conditions
ConditionsYield
Stage #1: cyclopenta-1,3-diene; acetone With pyrrolidine In methanol at 20℃; Inert atmosphere;
Stage #2: With acetic acid In methanol for 0.15h;
100%
With pyrrolidine In methanol at -10 - 20℃; for 1h; Inert atmosphere;100%
With methylamine for 4.5h;92%
123-08-0

4-hydroxy-benzaldehyde

67-64-1

acetone

3654-49-7

(1E,4E)-1,5-bis(4-hydroxyphenyl)penta-1,4-dien-3-one

Conditions
ConditionsYield
With hydrogenchloride In tetrahydrofuran for 264h;100%
With hydrogenchloride; acetic acid at 25 - 30℃; for 2h; Heating;95%
With hydrogenchloride In acetic acid at 25 - 30℃; for 2h;95%
123-11-5

4-methoxy-benzaldehyde

67-64-1

acetone

943-88-4

4-(p-methoxyphenyl)-3-butene-2-one

Conditions
ConditionsYield
With sodium hydroxide In water at 120℃; under 6750.68 Torr; Aldol condensation; Continuous flow;100%
With 1-n-butyl-3-methylimidazolim bromide; bovine serum albumin at 60℃; for 6h; Aldol Condensation; Green chemistry; Enzymatic reaction;98%
With sodium hydroxide for 72h; Ambient temperature;97%
630-19-3

pivalaldehyde

67-64-1

acetone

101713-95-5

4-hydroxy-2,2-dimethyl-6-heptanone

Conditions
ConditionsYield
With sodium hydroxide at 20℃;100%
Stage #1: acetone With sodium hydroxide In water at 20℃; Microfluidic conditions;
Stage #2: pivalaldehyde; acetone In water at 20℃; Microfluidic conditions;
100%
With n-butyllithium; diisopropylamine In tetrahydrofuran at -78℃; for 0.583333h;47%
1068-57-1

acetic acid hydrazide

67-64-1

acetone

3742-63-0

acetic acid isopropylidenehydrazide

Conditions
ConditionsYield
In cyclohexane at 55℃; for 16h;100%
In hexane Reflux;93%
In hexane for 4h; Heating;91%
66-99-9

β-naphthaldehyde

67-64-1

acetone

75032-63-2

4-(2-naphtalenyl)-3-buten-2-one

Conditions
ConditionsYield
With potassium hydroxide In methanol; water at 20℃; for 0.5h;100%
With boehmite at 55℃; for 24h; Aldol Condensation; Green chemistry;55%
With sodium hydroxide
93-02-7

2,5-dimethoxybenzaldehyde

67-64-1

acetone

118709-30-1

trans-1-(2,5-dimethoxyphenyl)-2-buten-3-one

Conditions
ConditionsYield
With sodium hydroxide at 23℃; for 6.5h;100%
Stage #1: 2,5-dimethoxybenzaldehyde; acetone With L-proline In dimethyl sulfoxide at 20℃; for 48h;
Stage #2: With hydrogenchloride In water; dimethyl sulfoxide for 3h;
62.5%
With sodium hydroxide at 20℃; for 0.5h;53%
536-74-3

phenylacetylene

67-64-1

acetone

1719-19-3

2-Methyl-4-phenyl-3-butyn-2-ol

Conditions
ConditionsYield
phosphazene base-P4-tert-butyl In hexane; dimethyl sulfoxide at 120℃; for 24h;100%
Stage #1: phenylacetylene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere;
Stage #2: acetone In tetrahydrofuran; hexane at -78 - 20℃;
100%
With Nd(3+)*8Na(1+)*10C4H9O(1-)*HO(1-) In dimethyl sulfoxide at 30℃; for 24h; Catalytic behavior; Concentration; Solvent; Reagent/catalyst; Inert atmosphere;100%
62-53-3

aniline

67-64-1

acetone

1124-52-3

N-(propan-2-ylidene)aniline

Conditions
ConditionsYield
With cis-(Cl,Cl)-[Re(p-NC6H4CH3)Cl2(py-2-COO)(PPh3)] at 70℃; for 24h; Inert atmosphere;100%
With microporous zeolite at 230℃; for 24h; Sealed tube; Autoclave;97%
sodium hydrogen sulfate; silica gel at 50 - 52℃; for 0.0333333h; microwave irradiation;75%
137-07-5

2-amino-benzenethiol

67-64-1

acetone

25111-89-1

2,2-dimethyl-2,3-dihydro-benzothiazole

Conditions
ConditionsYield
at 0℃; for 2h; gas/solid reaction;100%
Stage #1: 2-amino-benzenethiol; acetone In neat (no solvent) at 50℃; for 1h; Green chemistry;
Stage #2: With o-benzenedisulfonimide In neat (no solvent) at 50℃; for 48h; Green chemistry;
87%
With aluminum oxide at 20℃; for 0.5h;84%
100-10-7

4-dimethylamino-benzaldehyde

67-64-1

acetone

5432-53-1

4-p-dimethylaminophenyl-3-buten-2-one

Conditions
ConditionsYield
With sodium hydroxide for 72h; Ambient temperature;100%
With water; potassium hydroxide at 20℃; for 0.2h;82%
With sodium hydroxide In water at 0 - 20℃; Aldol condensation;67.73%
109-80-8

1.3-propanedithiol

67-64-1

acetone

6007-22-3

2,2-dimethyl-1,3-dithiane

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In dichloromethane at 25℃;100%
With titanium tetrachloride79%
acid78%
57-55-6

propylene glycol

67-64-1

acetone

1193-11-9, 116944-25-3

2,2,4-trimethyl-1,3-dioxolane

Conditions
ConditionsYield
With cyclohexane at 105℃; for 1h; Dean-Stark;100%
With Amberlyst 36 at 50℃; for 2h;75%
With 4 A molecular sieve; Amberlyst A 15 In tetrahydrofuran for 24h; Ambient temperature;35%
5973-71-7

3,4-dimethylbenzaldehyde

67-64-1

acetone

97241-86-6

(E)-4-(3,4-dimethylphenyl)but-3-en-2-one

Conditions
ConditionsYield
With sodium hydroxide In water at 0 - 25℃; for 6h;100%
With sodium hydroxide
With sodium hydroxide In water at 25℃; for 12h;
5906-99-0

2-nitrobenzenesulfonyl hydrazide

67-64-1

acetone

6655-27-2

N-isopropylidene-N’-2-nitrobenzenesulfonyl hydrazine

Conditions
ConditionsYield
at 0℃; for 1h;100%
at 24℃; for 0.166667h; Inert atmosphere;95%
at 0 - 23℃;89%
67-64-1

acetone

56-81-5

glycerol

100-79-8

(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

Conditions
ConditionsYield
With sulfuric acid at 40℃; Reagent/catalyst;100%
With toluene-4-sulfonic acid In hexane at 70℃; for 12h; Dean-Stark; Molecular sieve; Inert atmosphere;100%
Acidic conditions;100%
67-64-1

acetone

6287-38-3

3,4-dichlorobenzaldehyde

30983-80-3

(1E,4E)-1,5-bis(3,4-dichlorophenyl)penta-1,4-dien-3-one

Conditions
ConditionsYield
With sodium hydroxide In ethanol; water at 20℃; for 1h;100%
With sodium hydroxide In ethanol; water at 20℃; Aldol Addition;70%
With sodium hydroxide
With sodium hydroxide In ethanol
67-64-1

acetone

58-96-8

uridine

362-43-6

2',3'-O-isopropylideneuridine

Conditions
ConditionsYield
With sulfuric acid at 20℃; for 1h;100%
Stage #1: acetone; uridine With sulfuric acid at 20℃; for 1h;
Stage #2: With triethylamine In acetone Product distribution / selectivity;
100%
With sulfuric acid at 20℃; for 1h;100%
67-64-1

acetone

4114-31-2

ethylhydrazine carboxylate

6637-60-1

N'-isopropylidenehydrazinecarboxylic acid ethyl ester

Conditions
ConditionsYield
100%
With magnesium sulfate Reflux;100%
for 2h; Heating;98%
67-64-1

acetone

19214-95-0

(2-2H)propan-2-(2H)ol

Conditions
ConditionsYield
With lithium aluminium deuteride In diethylene glycol dimethyl ether at 0℃; for 1h; Inert atmosphere;100%
With pyrographite; platinum; deuterium at 25℃; under 1520 Torr; an mit Eisensalz;
With lithium aluminium deuteride
67-64-1

acetone

6868-83-3

acetylmethanenitrolic acid

Conditions
ConditionsYield
With dinitrogen tetraoxide In tetrachloromethane 1.) 0 deg C, 20 min, 2.) 20 deg C, 40 min;100%
With nitric acid
67-64-1

acetone

67-63-0

isopropyl alcohol

Conditions
ConditionsYield
With hydrogen; mer-Os(PPh3)3HBr(CO) In toluene at 150℃; under 51680 Torr; for 3h;100%
With hydrogen; sodium methylate; chromium(0) hexacarbonyl In methanol at 120℃; under 75006 Torr; for 3h;100%
With hydrogen; Ru((R,R)-cyP2N2)HCl In benzene-d6 at 20℃; under 2280.15 Torr; for 12h; Product distribution / selectivity; Alkaline conditions; Cooling with liquid nitrogen;100%
67-64-1

acetone

18449-76-8

methyl α-D-lyxopyranoside

60562-98-3

methyl 2,3-O-isopropylidene-α-D-lyxopyranoside

Conditions
ConditionsYield
With 4 A molecular sieve; amberlyst-15 (H form) at 23℃; for 4h;100%
With sulfuric acid; copper(II) sulfate for 24h; Ambient temperature;81%
With sulfuric acid
With phosphorus pentoxide
67-64-1

acetone

58-61-7

adenosine

362-75-4

2',3'-isopropylidene adenosine

Conditions
ConditionsYield
With toluene-4-sulfonic acid; orthoformic acid triethyl ester at 20℃;100%
With p-toluenesulfonic acid monohydrate for 3h; Inert atmosphere;100%
With toluene-4-sulfonic acid at 20℃; for 1h; Inert atmosphere;99%
100-52-7

benzaldehyde

67-64-1

acetone

Conditions
ConditionsYield
With sodium hydroxide at 20℃;100%
Stage #1: acetone With sodium hydroxide In water at 20℃; Microfluidic conditions;
Stage #2: benzaldehyde; acetone In water at 20℃; Microfluidic conditions;
100%
With pyrrolidine; 4-nitro-phenol at 20℃; for 2.5h;99.4%
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Specification

Acetone, with the CAS register number 67-64-1, is a clear colorless liquid with a sweetish odor. The substance which is the organic compound with the formula C3H6O has EINECS register number 200-662-2. Acetone is soluble in water. Acetone can form explosive mixtures with chromic anhydride, chromyl alcohol, hexacholromelamine, hydrogen peroxide, permonosulfuric acid, potassium terbutoxide and thioglycol. You should keep Acetone away from heat, sparks and flame. What's more, Acetone should be stored in a cool, dry place, and its container should be kept closed when not in use. In addition, Acetone can be restored by reductant into isopropyl alcohol and pinacolone. Acetone is relatively stable with oxidan, however, reacts with strong oxidizer oxidation, like alkaline potassium permanganate or chromium acid, can generate acetic acid, formic acid, carbon dioxide and water.

Physical properties about Acetone are: (1)ACD/LogP: -0.042; (2)ACD/LogD (pH 5.5): -0.04; (3)ACD/LogD (pH 7.4): -0.04; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 22.61; (7)ACD/KOC (pH 7.4): 22.61; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.345; (10)Molar Refractivity: 15.977 cm3; (11)Molar Volume: 75.176 cm3; (12)Polarizability: 6.334 10-24cm3; (13)Surface Tension: 18.818000793457 dyne/cm; (14)Density: 0.773 g/cm3; (15)Flash Point: -17.222 °C; (16)Enthalpy of Vaporization: 29.1 kJ/mol; (17)Boiling Point: 46.458 °C at 760 mmHg; (18)Vapour Pressure: 348.445007324219 mmHg at 25°C

Preparation of Acetone: Previously, Acetone was produced by the dry distillation of acetates, for example calcium acetate. During World War I, Acetone was produced via bacterial fermentation, as developed by Chaim Weizmann in order to help the British war effort. This Acetone Butanol Ethanol process was abandoned due to the small yields. Nowadays, Acetone is produced directly or indirectly from propylene. Approximately 83 % of Acetone is produced via the cumene process, as a result, acetone production is tied to phenol production. In the cumene process, benzene is alkylated with propylene and the resulting cumene (isopropylbenzene) is oxidized by air to give phenol and Acetone:

Preparation of Acetone

 

Besides, Acetone can be produced by acetylene with water vapor using zinc oxide as the catalyst.

2 C2H2 + 3 H2O → (CH3)2CO + CO2↑ + 2 H2

In addition, oxidation or dehydrogenation of isopropyl alcohol can be used to prepare Acetone. The isopropyl alcohol reacts with hydrogen peroxide to give Acetone. The isopropyl alcohol and acraldehyde can be used to generate Acetone.

Uses of Acetone: Acetone is also used extensively as a solvent for the safe transporting and storing of acetylene, which cannot be safely pressurized as a pure compound. Acetone is used in a variety of general medical and cosmetic applications and is also listed as a component in food additives and food packaging. In the laboratory, Acetone is used as a polar aprotic solvent in a variety of organic reactions, such as SN2 reactions.It also can be used as the active ingredient in nail polish remover and as paint thinner. Acetone is a good solvent for most plastics and synthetic fibers including those used in laboratory bottles made of polystyrene, polycarbonate and some types of polypropylene. It also can be used as a solvent and production of methyl methacrylate and bisphenol A. The procedures of producing methyl methacrylate and bisphenol A are as the following:

(CH3)2CO + HCN → (CH3)2C(OH)CN
(CH3)2C(OH)CN + CH3OH → CH2=(CH3)CCO2CH3 + NH3
(CH3)2CO + 2 C6H5OH → (CH3)2C(C6H4OH)2 + H2O

When you are using Acetone, you should be very cautious about it. Acetone is highly flammable and irritant, which is irritating to eyes. If repeated exposure, Acetone may cause skin dryness or cracking. Its vapours may cause drowsiness and dizziness. In addition, you should keep its container in a well-ventilated place and keep Acetone away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C
(2)InChI: InChI=1S/C3H6O/c1-3(2)4/h1-2H3
(3)InChIKey: CSCPPACGZOOCGX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intraperitoneal 8gm/kg (8000mg/kg) BEHAVIORAL: COMA

GASTROINTESTINAL: ALTERATION IN GASTRIC SECRETION
Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 18, Pg. 218, 1884.
dog LDLo oral 8gm/kg (8000mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: COMA

MUSCULOSKELETAL: JOINTS
Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 18, Pg. 218, 1884.
dog LDLo subcutaneous 5gm/kg (5000mg/kg)   Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 18, Pg. 218, 1884.
guinea pig LD50 skin > 9400uL/kg (9.4mL/kg)   Toxicology and Applied Pharmacology. Vol. 7, Pg. 559, 1965.
guinea pig LDLo subcutaneous 5gm/kg (5000mg/kg)   Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
human TCLo inhalation 500ppm (500ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 282, 1943.
man LDLo unreported 1159mg/kg (1159mg/kg)   "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
man TCLo inhalation 440ug/m3/6M (0.44mg/m3) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(8), Pg. 42, 1977.
man TCLo inhalation 10mg/m3/6H (10mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(8), Pg. 42, 1977.
man TCLo inhalation 12000ppm/4H (12000ppm) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: MUSCLE WEAKNESS
Annals of Occupational Hygiene. Vol. 16, Pg. 73, 1973.
man TDLo oral 2857mg/kg (2857mg/kg) BEHAVIORAL: COMA

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 64, 1969.
man TDLo oral 2857mg/kg (2857mg/kg) BEHAVIORAL: COMA Diabetes. Vol. 15, Pg. 810, 1966.
mouse LC50 inhalation 44gm/m3/4H (44000mg/m3)   Current Toxicology. Vol. 1, Pg. 47, 1993.
mouse LD50 intraperitoneal 1297mg/kg (1297mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 1, 1961.
mouse LD50 oral 3gm/kg (3000mg/kg)   Pharmaceutical Chemistry Journal Vol. 14, Pg. 162, 1980.
mouse LDLo intravenous 4gm/kg (4000mg/kg)   FAO Nutrition Meetings Report Series. Vol. 48A, Pg. 86, 1970.
rabbit LD50 oral 5340mg/kg (5340mg/kg)   FAO Nutrition Meetings Report Series. Vol. 48A, Pg. 86, 1970.
rabbit LDLo intravenous 1576mg/kg (1576mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Journal of Pharmacology and Experimental Therapeutics. Vol. 33, Pg. 175, 1928.
rabbit LDLo skin 20mL/kg (20mL/kg)   Union Carbide Data Sheet. Vol. 5/7/1970,
rat LC50 inhalation 50100mg/m3/8H (50100mg/m3)   American Industrial Hygiene Association Journal. Vol. 20, Pg. 364, 1959.
rat LD50 intravenous 5500mg/kg (5500mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 1, 1974.
rat LD50 oral 5800mg/kg (5800mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: TREMOR
Journal of Toxicology and Environmental Health. Vol. 15, Pg. 609, 1985.
rat LDLo intraperitoneal 500mg/kg (500mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: MUSCLE WEAKNESS

KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED
Journal of Pharmacy and Pharmacology. Vol. 11, Pg. 150, 1959.