Mesityl oxide supplier | CasNO.141-79-7

Name
2-Methyl-2-penten-4-one
EINECS 205-502-5
CAS No. 141-79-7
Article Data383
CAS DataBase
Density 0.83 g/cm³
Solubility 28 G/L (20 ºC)
Melting Point -53 °C(lit.)
Formula C₆H₁₀O
Boiling Point 132.7 °C at 760 mmHg
Molecular Weight 98.1448
Flash Point 30.6 °C
Transport Information UN 1229 3/PG 3
Appearance clear light yellow liquid
Safety 25
Risk Codes 10-20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms 2,2-Dimethylvinylmethyl ketone;2-Methyl-2-penten-4-one;2-Methyl-4-oxo-2-pentene;4-Methyl-3-pentene-2-one;Isobutenyl methyl ketone;Isopropylideneacetone;Methyl 2,2-dimethylvinyl ketone;Methyl2-methyl-1-propenyl ketone;Methyl isobutenyl ketone;NSC 38717;
PSA 17.07000
LogP 1.54160

Synthetic route

: 2158-24-9
4-methyl-pent-3-en-2-one oxime

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With (Bu4N)2S2O8 In 1,2-dichloro-ethane for 1.5h; Heating;	94.8%
With dihydrogen peroxide; tripropylammonium fluorochromate (VI) In acetone at 0 - 10℃; for 4h;	92%
With perchloric acid; dihydrogen peroxide; potassium bromide; ammonium molybdate tetrahydrate In water at 20℃; for 1h;	90%
With hexaammonium heptamolybdate tetrahydrate; dihydrogen peroxide In water; acetic acid at 20℃; for 12h;	70%

: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

: 25290-14-6
4-Hydroxy-heptan-2-on

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 5609-09-6, 69668-88-8, 1119-44-4
3-hepten-2-one

Conditions

Conditions	Yield
With sulfuric acid In water at 100 - 120℃; for 8h;	A 92.56% B 94.48%

...Expand

: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 109-89-7
diethylamine

Conditions

Conditions	Yield
With hexaethylphosphoric triamide at 190℃; further reagent;	A 26.8% B 91.3%

: 2283-11-6
hexaethylphosphoric triamide

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 109-89-7
diethylamine

Conditions

Conditions	Yield
With 4-Hydroxy-4-methyl-2-pentanone at 190℃;	A 26.8% B 91.3%

: 66647-68-5
4-bromo-4-methylpentan-2-one

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol; water for 18h; Heating;	88%
With triethylamine In water for 0.166667h;	84%

: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With tetrachlorosilane In chloroform for 5h; Heating;	87%
With acid
With SULFAMIDE at 170 - 175℃;

: 65447-92-9
methyl-2 (methyl-2 propene-1 yl)-2 dithiolanne-1,3

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With hydrogen bromide; dihydrogen peroxide In acetonitrile at 25℃; for 0.166667h;	87%

: 4325-82-0
4-methyl pent-3-en-2-ol

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With (π-C5H5)2Zr{OC(CH3)2H}2; benzaldehyde In toluene for 8h; Heating;	86%
With pyridiniumchlorochromate on aluminumoxide at 20℃; for 14h;	78%
With tert.-butylhydroperoxide; cobalt(II) ethyl phosphonate In decane; acetonitrile at 80℃; for 10h;	76%

: 50461-99-9
4-methyl-4-phenylsulfanyl-pentan-2-one

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 1212-08-4
S-Phenyl benzenethiosulfonate

C: 1208-20-4, 6930-77-4, 133670-27-6
S-phenyl benzenethiosulfinate

D: 882-33-7
diphenyldisulfane

Conditions

Conditions	Yield
With sodium periodate; phosphate buffer In tetrahydrofuran for 5h; Product distribution;	A 85% B 44% C n/a D 43%

...Expand

: 67-64-1
acetone

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 504-20-1
phorone

C: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

Conditions

Conditions	Yield
With titanium tetrachloride; NCNMe2 In benzene at 25℃;	A 82% B 2% C 8%
With sodium hydroxide In benzene at 40℃; Mechanism; Kinetics; benzyltriethylammonium chloride presence;
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In benzene at 40℃; reaction order, effect of concentration on the initial rate;
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In benzene at 40℃; Mechanism; effect concentrations, initial rate;
With MgO/ZrO2 mixed oxides at 249.84℃;

...Expand

: 23652-85-9
(Z)-4-(methylamino)-3-penten-2-one

: 676-58-4
methylmagnesium chloride

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With cerium(III) chloride Mechanism; multistep reaction; other β-enamino ketones and Grignarg reagents; var. times;	81%
With cerium(III) chloride 1.) THF, -78 deg C, 2 h, 2.) from -78 deg C to RT, 2.5 h; Yield given. Multistep reaction;

: 2-Methyl-4,4-bis-methylsulfanyl-pentan-2-ol

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With dimethyl sulfoxide at 160℃;	79%

: 4478-63-1
3,4-epoxy-4-methyl-2-pentanone

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; sodium iodide In acetonitrile at -10℃; for 0.0166667h;	78%
With sodium hydroxide; thiourea dioxide; tetrabutylammomium bromide In tetrahydrofuran for 0.2h; Ambient temperature;	40%

: 74491-15-9
4-methyl-4-benzylsulphinylpentan-2-one

A: 150-60-7
dibenzyl disulphide

B: 141-79-7
4-methyl-pent-3-en-2-one

C: 16302-98-0
petivericin

D: 16601-40-4
S-benzyl phenyl-methanethiosulfonate

Conditions

Conditions	Yield
With pyrrolidine In cyclohexane at 50℃; for 2h; Product distribution; further amines;	A 23% B 76% C 49% D 22%

...Expand

: (P(CH3)3)4Ru(OC(CH3)CHC(CH3)CH)

A: 141-79-7
4-methyl-pent-3-en-2-one

: 88968-53-0
cis-{Ru(O2CMe)2(PMe3)4}

Conditions

Conditions	Yield
With CH3COOH In benzene-d6 inert gas; soln. was frozen (liquid nitrogen); exposed to vacuum; heated at 85°C for 2 h; not isolated; NMR;	A 74% B >99

: 41321-86-2
4-ethylsulfanyl-4-methyl-pentan-2-one

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With tetrabutylammomium bromide In ethanol electrolysis;	73%
With 3-chloro-benzenecarboperoxoic acid In chloroform 1.) ice-bath, 2.) r.t., 15 h;	58%
With aluminum oxide; potassium sulfate; potassium hydrogensulfate; potassium peroxomonosulfate 1.) 6 h, room temperature 2.) ether, 180 min, room temperature; Yield given. Multistep reaction;

: 3350-78-5
3,3-Dimethylacryloyl chloride

: 75-24-1
trimethylaluminum

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane	73%

: 64-18-6
formic acid

: N-[1,3-Dimethyl-but-2-en-(E)-ylidene]-N'-phenyl-hydrazine

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 622-84-4
2-formyl-1-phenylhydrazine

Conditions

Conditions	Yield
In ethanol for 5h; Heating;	A 71% B 72%

...Expand

: N-[1,3-Dimethyl-but-2-en-(E)-ylidene]-N'-phenyl-hydrazine

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 622-84-4
2-formyl-1-phenylhydrazine

Conditions

Conditions	Yield
With formic acid In ethanol for 5h; Heating;	A 71% B 72%

: 64-19-7
acetic acid

: 2632-88-4
ethyl N,N'-tetraethyldiamidophosphite

A: 685-91-6
diethylacetamide

B: 141-79-7
4-methyl-pent-3-en-2-one

C: 109-89-7
diethylamine

D: 6260-32-8
2-ethoxy-3-hydroxy-3,5,5-trimethyl-1,2-oxaphospholane-2-oxide

Conditions

Conditions	Yield
With 4-Hydroxy-4-methyl-2-pentanone	A 46.9% B 50% C 27.4% D 71.3%

...Expand

: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

: 2632-88-4
ethyl N,N'-tetraethyldiamidophosphite

A: 685-91-6
diethylacetamide

B: 141-79-7
4-methyl-pent-3-en-2-one

C: 109-89-7
diethylamine

D: 6260-32-8
2-ethoxy-3-hydroxy-3,5,5-trimethyl-1,2-oxaphospholane-2-oxide

Conditions

Conditions	Yield
With acetic acid	A 46.9% B 50% C 27.4% D 71.3%

...Expand

: 2632-88-4
ethyl N,N'-tetraethyldiamidophosphite

A: 685-91-6
diethylacetamide

B: 141-79-7
4-methyl-pent-3-en-2-one

C: 109-89-7
diethylamine

D: 6260-32-8
2-ethoxy-3-hydroxy-3,5,5-trimethyl-1,2-oxaphospholane-2-oxide

Conditions

Conditions	Yield
With 4-Hydroxy-4-methyl-2-pentanone; acetic acid	A 46.9% B 50% C 27.4% D 71.3%

...Expand

: 123-35-3
7-methyl-3-methene-1,6-octadiene

: 16339-21-2
N-nitroso-β-methylaminoisobutyl methyl ketone

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 1-(4-methyl-3-pentenyl)-1,1'-bicyclopropane

C: 2-cyclopropyl-6-methyl-1,5-heptadiene

Conditions

Conditions	Yield
With palladium(II) acetylacetonate; potassium hydroxide In water at 0 - 25℃; for 24.5h;	A 35% B 3% C 69%

...Expand

: 67-64-1
acetone

: 108-95-2
phenol

A: 80-05-7
BPA

B: 141-79-7
4-methyl-pent-3-en-2-one

C: 837-08-1
2-[1-(4-hydroxyphenyl)-1-methylethyl]-phenol

Conditions

Conditions	Yield
beta zeolite acidic form at 120℃; under 760.051 Torr; for 12h;	A 63.2% B 0.01% C 11.43%

...Expand

: 4894-61-5
trans-but-2-enyl chloride

: 3102-33-8
trans-3-penten-2-one

A: 141-79-7
4-methyl-pent-3-en-2-one

: 112344-59-9
threo-3,4-dimethyl-1,5-heptadien-4-ol

Conditions

Conditions	Yield
With iodine; magnesium; ethylene dibromide In diethyl ether for 12h; Ambient temperature; Title compound not separated from byproducts;	A 40% B 60%

...Expand

: 100-99-2
triisobutylaluminum

: 75-36-5
acetyl chloride

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 14575-13-4
4-chloro-4-methyl-2-pentanone

C: 108-10-1
4-methyl-2-pentanone

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane for 1h; Product distribution; Ambient temperature; other reaction time and temperature; other molecular proportion.;	A 15% B 30% C 55%
With aluminium trichloride In dichloromethane for 1h; Ambient temperature;	A 55% B 30% C 15%

...Expand

: 110-87-2
3,4-dihydro-2H-pyran

: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

A: 57283-21-3
4-(tetrahydropyranyl-2-oxy)-4-methyl-2-pentanone

B: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With lithium hexafluorophosphate In hexane at 0℃; for 3h;	A 50% B n/a

...Expand

: 67-64-1
acetone

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
	48%
With aluminum oxide for 192h; Ambient temperature;	20%
Amberlite IR-120 at 60℃; for 24h; Product distribution; various quantity of catalyst, various temperatures and reaction times, also with Nafion-H;	19.8%

: 67-64-1
acetone

A: 108-11-2
Methyl isobutyl carbinol

B: 141-79-7
4-methyl-pent-3-en-2-one

C: 108-10-1
4-methyl-2-pentanone

D: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal; Nafion-H at 100℃; under 2585.7 Torr; for 24h; Further byproducts given;	A 3% B 3% C 48% D 37%
With hydrogen; palladium on activated charcoal; Nafion-H at 100℃; under 2585.7 Torr; for 24h; Product distribution; various pressures, temperatures and reaction times, also with Amberlite IR-120/ Pd/C;	A 3% B 3% C 48% D 37%
With hydrogen; palladium on activated charcoal; Amberlite IR-120 at 100℃; under 2585.7 Torr; for 24h; Further byproducts given;	A 1.2% B 3% C 40% D 42%

...Expand

: 2158-24-9
4-methyl-pent-3-en-2-one oxime

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With (Bu4N)2S2O8 In 1,2-dichloro-ethane for 1.5h; Heating;	94.8%
With dihydrogen peroxide; tripropylammonium fluorochromate (VI) In acetone at 0 - 10℃; for 4h;	92%
With perchloric acid; dihydrogen peroxide; potassium bromide; ammonium molybdate tetrahydrate In water at 20℃; for 1h;	90%
With hexaammonium heptamolybdate tetrahydrate; dihydrogen peroxide In water; acetic acid at 20℃; for 12h;	70%

: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

: 25290-14-6
4-Hydroxy-heptan-2-on

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 5609-09-6, 69668-88-8, 1119-44-4
3-hepten-2-one

Conditions

Conditions	Yield
With sulfuric acid In water at 100 - 120℃; for 8h;	A 92.56% B 94.48%

...Expand

: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 109-89-7
diethylamine

Conditions

Conditions	Yield
With hexaethylphosphoric triamide at 190℃; further reagent;	A 26.8% B 91.3%

: 2283-11-6
hexaethylphosphoric triamide

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 109-89-7
diethylamine

Conditions

Conditions	Yield
With 4-Hydroxy-4-methyl-2-pentanone at 190℃;	A 26.8% B 91.3%

: 66647-68-5
4-bromo-4-methylpentan-2-one

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol; water for 18h; Heating;	88%
With triethylamine In water for 0.166667h;	84%

: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With tetrachlorosilane In chloroform for 5h; Heating;	87%
With acid
With SULFAMIDE at 170 - 175℃;

: 65447-92-9
methyl-2 (methyl-2 propene-1 yl)-2 dithiolanne-1,3

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With hydrogen bromide; dihydrogen peroxide In acetonitrile at 25℃; for 0.166667h;	87%

: 4325-82-0
4-methyl pent-3-en-2-ol

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With (π-C5H5)2Zr{OC(CH3)2H}2; benzaldehyde In toluene for 8h; Heating;	86%
With pyridiniumchlorochromate on aluminumoxide at 20℃; for 14h;	78%
With tert.-butylhydroperoxide; cobalt(II) ethyl phosphonate In decane; acetonitrile at 80℃; for 10h;	76%

: 50461-99-9
4-methyl-4-phenylsulfanyl-pentan-2-one

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 1212-08-4
S-Phenyl benzenethiosulfonate

C: 1208-20-4, 6930-77-4, 133670-27-6
S-phenyl benzenethiosulfinate

D: 882-33-7
diphenyldisulfane

Conditions

Conditions	Yield
With sodium periodate; phosphate buffer In tetrahydrofuran for 5h; Product distribution;	A 85% B 44% C n/a D 43%

...Expand

: 67-64-1
acetone

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 504-20-1
phorone

C: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

Conditions

Conditions	Yield
With titanium tetrachloride; NCNMe2 In benzene at 25℃;	A 82% B 2% C 8%
With sodium hydroxide In benzene at 40℃; Mechanism; Kinetics; benzyltriethylammonium chloride presence;
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In benzene at 40℃; reaction order, effect of concentration on the initial rate;
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In benzene at 40℃; Mechanism; effect concentrations, initial rate;
With MgO/ZrO2 mixed oxides at 249.84℃;

...Expand

: 23652-85-9
(Z)-4-(methylamino)-3-penten-2-one

: 676-58-4
methylmagnesium chloride

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With cerium(III) chloride Mechanism; multistep reaction; other β-enamino ketones and Grignarg reagents; var. times;	81%
With cerium(III) chloride 1.) THF, -78 deg C, 2 h, 2.) from -78 deg C to RT, 2.5 h; Yield given. Multistep reaction;

: 2-Methyl-4,4-bis-methylsulfanyl-pentan-2-ol

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With dimethyl sulfoxide at 160℃;	79%

: 4478-63-1
3,4-epoxy-4-methyl-2-pentanone

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; sodium iodide In acetonitrile at -10℃; for 0.0166667h;	78%
With sodium hydroxide; thiourea dioxide; tetrabutylammomium bromide In tetrahydrofuran for 0.2h; Ambient temperature;	40%

: 74491-15-9
4-methyl-4-benzylsulphinylpentan-2-one

A: 150-60-7
dibenzyl disulphide

B: 141-79-7
4-methyl-pent-3-en-2-one

C: 16302-98-0
petivericin

D: 16601-40-4
S-benzyl phenyl-methanethiosulfonate

Conditions

Conditions	Yield
With pyrrolidine In cyclohexane at 50℃; for 2h; Product distribution; further amines;	A 23% B 76% C 49% D 22%

...Expand

: (P(CH3)3)4Ru(OC(CH3)CHC(CH3)CH)

A: 141-79-7
4-methyl-pent-3-en-2-one

: 88968-53-0
cis-{Ru(O2CMe)2(PMe3)4}

Conditions

Conditions	Yield
With CH3COOH In benzene-d6 inert gas; soln. was frozen (liquid nitrogen); exposed to vacuum; heated at 85°C for 2 h; not isolated; NMR;	A 74% B >99

: 41321-86-2
4-ethylsulfanyl-4-methyl-pentan-2-one

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With tetrabutylammomium bromide In ethanol electrolysis;	73%
With 3-chloro-benzenecarboperoxoic acid In chloroform 1.) ice-bath, 2.) r.t., 15 h;	58%
With aluminum oxide; potassium sulfate; potassium hydrogensulfate; potassium peroxomonosulfate 1.) 6 h, room temperature 2.) ether, 180 min, room temperature; Yield given. Multistep reaction;

: 3350-78-5
3,3-Dimethylacryloyl chloride

: 75-24-1
trimethylaluminum

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane	73%

: 64-18-6
formic acid

: N-[1,3-Dimethyl-but-2-en-(E)-ylidene]-N'-phenyl-hydrazine

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 622-84-4
2-formyl-1-phenylhydrazine

Conditions

Conditions	Yield
In ethanol for 5h; Heating;	A 71% B 72%

...Expand

: N-[1,3-Dimethyl-but-2-en-(E)-ylidene]-N'-phenyl-hydrazine

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 622-84-4
2-formyl-1-phenylhydrazine

Conditions

Conditions	Yield
With formic acid In ethanol for 5h; Heating;	A 71% B 72%

: 64-19-7
acetic acid

: 2632-88-4
ethyl N,N'-tetraethyldiamidophosphite

A: 685-91-6
diethylacetamide

B: 141-79-7
4-methyl-pent-3-en-2-one

C: 109-89-7
diethylamine

D: 6260-32-8
2-ethoxy-3-hydroxy-3,5,5-trimethyl-1,2-oxaphospholane-2-oxide

Conditions

Conditions	Yield
With 4-Hydroxy-4-methyl-2-pentanone	A 46.9% B 50% C 27.4% D 71.3%

...Expand

: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

: 2632-88-4
ethyl N,N'-tetraethyldiamidophosphite

A: 685-91-6
diethylacetamide

B: 141-79-7
4-methyl-pent-3-en-2-one

C: 109-89-7
diethylamine

D: 6260-32-8
2-ethoxy-3-hydroxy-3,5,5-trimethyl-1,2-oxaphospholane-2-oxide

Conditions

Conditions	Yield
With acetic acid	A 46.9% B 50% C 27.4% D 71.3%

...Expand

: 2632-88-4
ethyl N,N'-tetraethyldiamidophosphite

A: 685-91-6
diethylacetamide

B: 141-79-7
4-methyl-pent-3-en-2-one

C: 109-89-7
diethylamine

D: 6260-32-8
2-ethoxy-3-hydroxy-3,5,5-trimethyl-1,2-oxaphospholane-2-oxide

Conditions

Conditions	Yield
With 4-Hydroxy-4-methyl-2-pentanone; acetic acid	A 46.9% B 50% C 27.4% D 71.3%

...Expand

: 123-35-3
7-methyl-3-methene-1,6-octadiene

: 16339-21-2
N-nitroso-β-methylaminoisobutyl methyl ketone

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 1-(4-methyl-3-pentenyl)-1,1'-bicyclopropane

C: 2-cyclopropyl-6-methyl-1,5-heptadiene

Conditions

Conditions	Yield
With palladium(II) acetylacetonate; potassium hydroxide In water at 0 - 25℃; for 24.5h;	A 35% B 3% C 69%

...Expand

: 67-64-1
acetone

: 108-95-2
phenol

A: 80-05-7
BPA

B: 141-79-7
4-methyl-pent-3-en-2-one

C: 837-08-1
2-[1-(4-hydroxyphenyl)-1-methylethyl]-phenol

Conditions

Conditions	Yield
beta zeolite acidic form at 120℃; under 760.051 Torr; for 12h;	A 63.2% B 0.01% C 11.43%

...Expand

: 4894-61-5
trans-but-2-enyl chloride

: 3102-33-8
trans-3-penten-2-one

A: 141-79-7
4-methyl-pent-3-en-2-one

: 112344-59-9
threo-3,4-dimethyl-1,5-heptadien-4-ol

Conditions

Conditions	Yield
With iodine; magnesium; ethylene dibromide In diethyl ether for 12h; Ambient temperature; Title compound not separated from byproducts;	A 40% B 60%

...Expand

: 100-99-2
triisobutylaluminum

: 75-36-5
acetyl chloride

A: 141-79-7
4-methyl-pent-3-en-2-one

B: 14575-13-4
4-chloro-4-methyl-2-pentanone

C: 108-10-1
4-methyl-2-pentanone

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane for 1h; Product distribution; Ambient temperature; other reaction time and temperature; other molecular proportion.;	A 15% B 30% C 55%
With aluminium trichloride In dichloromethane for 1h; Ambient temperature;	A 55% B 30% C 15%

...Expand

: 110-87-2
3,4-dihydro-2H-pyran

: 123-42-2
4-Hydroxy-4-methyl-2-pentanone

A: 57283-21-3
4-(tetrahydropyranyl-2-oxy)-4-methyl-2-pentanone

B: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
With lithium hexafluorophosphate In hexane at 0℃; for 3h;	A 50% B n/a

...Expand

: 67-64-1
acetone

: 141-79-7
4-methyl-pent-3-en-2-one

Conditions

Conditions	Yield
	48%
With aluminum oxide for 192h; Ambient temperature;	20%
Amberlite IR-120 at 60℃; for 24h; Product distribution; various quantity of catalyst, various temperatures and reaction times, also with Nafion-H;	19.8%

: 67-64-1
acetone

A: 108-11-2
Methyl isobutyl carbinol

B: 141-79-7
4-methyl-pent-3-en-2-one

C: 108-10-1
4-methyl-2-pentanone

D: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal; Nafion-H at 100℃; under 2585.7 Torr; for 24h; Further byproducts given;	A 3% B 3% C 48% D 37%
With hydrogen; palladium on activated charcoal; Nafion-H at 100℃; under 2585.7 Torr; for 24h; Product distribution; various pressures, temperatures and reaction times, also with Amberlite IR-120/ Pd/C;	A 3% B 3% C 48% D 37%
With hydrogen; palladium on activated charcoal; Amberlite IR-120 at 100℃; under 2585.7 Torr; for 24h; Further byproducts given;	A 1.2% B 3% C 40% D 42%

...Expand

: 141-79-7
4-methyl-pent-3-en-2-one

: 1826-67-1
vinyl magnesium bromide

: 38552-68-0
3,5-dimethyl-hexa-1,4-dien-3-ol

Conditions

Conditions	Yield
In tetrahydrofuran	100%

: 141-79-7
4-methyl-pent-3-en-2-one

: 108-11-2
Methyl isobutyl carbinol

Conditions

Conditions	Yield
With potassium Sodium; polyethylene oxide In tetrahydrofuran at 0℃; 2.5 ethylene oxide units/M(+);	100%
With formic acid; C18H24ClIrN3 In water at 80℃; for 4h; Schlenk technique; Inert atmosphere;	80%
With nickel at 110 - 165℃; under 73550.8 - 147102 Torr; Hydrogenation;

Mesityl oxide Consensus Reports

Reported in EPA TSCA Inventory.

Mesityl oxide Standards and Recommendations

OSHA PEL: TWA 15 ppm; STEL 25 ppm
ACGIH TLV: TWA 15 ppm; STEL 25 ppm
DFG MAK: 25 ppm (100 mg/m³)
NIOSH REL: (Ketones) TWA 40 mg/m³
DOT Classification: 3; Label: Flammable Liquid

Mesityl oxide Analytical Methods

For occupational chemical analysis use NIOSH: Ketones II (Desorption in 99:1 CS₂:methanol), 1301.

Mesityl oxide Specification

The Mesityl oxide, with the CAS registry number 141-79-7 and EINECS registry number 205-502-5, has the systhematic name of 4-methylpent-3-en-2-one. It is a is a α,β-Unsaturated ketone with the molecular formula of C₆H₁₀O. It is a kind of clear light yellow liquid, and belongs to the product category of Acetone series. What's more, it is usually used as mid-boiling point strong solvent.

The physical properties of Mesityl oxide are as followings: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 4.14; (6)ACD/BCF (pH 7.4): 4.14; (7)ACD/KOC (pH 5.5): 96.26; (8)ACD/KOC (pH 7.4): 96.26; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.418; (14)Molar Refractivity: 29.77 cm³; (15)Molar Volume: 118.1 cm³; (16)Polarizability: 11.8×10^-24cm³; (17)Surface Tension: 23.2 dyne/cm; (18)Density: 0.83 g/cm³; (19)Flash Point: 30.6 °C; (20)Enthalpy of Vaporization: 37.02 kJ/mol; (21)Boiling Point: 132.7 °C at 760 mmHg; (22)Vapour Pressure: 8.76 mmHg at 25°C.

Synthesis: It can be prepared by the aldol condensation of acetone to give diacetone alcohol, which readily dehydrates to give this compound.

Mesityl oxide can be prepared by the aldol condensation of acetone to give diacetone alcohol

Uses of Mesityl oxide: It can be used as a solvent and in the production of methyl isobutyl ketone by hydrogenation:

Mesityl oxide can be used as a solvent and in the production of methyl isobutyl ketone by hydrogenation

You should be cautious while dealing with this chemical. It is a kind of flammble chemical which is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better avoid contact with eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C(/C)C)C
(2)InChI: InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
(3)InChIKey: SHOJXDKTYKFBRD-UHFFFAOYAQ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
frog	LDLo	subcutaneous	1400mg/kg (1400mg/kg)		Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 56, Pg. 346, 1906.
guinea pig	LCLo	inhalation	500ppm/8H (500ppm)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of Industrial Hygiene and Toxicology. Vol. 24, Pg. 46, 1942.
human	TCLo	inhalation	25ppm (25ppm)	SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE	Journal of Industrial Hygiene and Toxicology. Vol. 28, Pg. 262, 1946.
mammal (species unspecified)	LD50	oral	710mg/kg (710mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
mouse	LC50	inhalation	10gm/m³/2H (10000mg/m³)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 80, 1982.
mouse	LD50	intraperitoneal	354mg/kg (354mg/kg)		Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.
mouse	LD50	oral	710mg/kg (710mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 80, 1982.
rabbit	LD50	oral	1gm/kg (1000mg/kg)		"Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 896, 1991.
rabbit	LD50	skin	5150mg/kg (5150mg/kg)		Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 71, 1974.
rabbit	LDLo	subcutaneous	840mg/kg (840mg/kg)		Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 56, Pg. 346, 1906.
rat	LC50	inhalation	9gm/m³/4H (9000mg/m³)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 80, 1982.
rat	LD50	oral	1120mg/kg (1120mg/kg)		"Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 896, 1991.

Product Name

2-Methyl-2-penten-4-one

Synthetic route

Mesityl oxide Consensus Reports

Mesityl oxide Standards and Recommendations

Mesityl oxide Analytical Methods

Mesityl oxide Specification

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