Conditions | Yield |
---|---|
With pyridine at 100℃; for 15h; | 100% |
at 20℃; for 0.666667h; | 100% |
With pyridine at 25℃; for 12h; | 100% |
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid In acetonitrile at 20℃; for 1h; | 99% |
With tetrabutyl-ammonium chloride; sodium hydroxide In dichloromethane; water at 0℃; for 0.0833333h; | 95% |
With ZnAl2O4 nanoparticles at 20℃; for 0.566667h; Neat (no solvent); | 93% |
Conditions | Yield |
---|---|
With 50wtpercent Cs2.5H0.5PW12O40 supported on MCM-41 In acetonitrile at 50℃; for 0.5h; | 98% |
With phosphorus pentoxide; silica gel at 25℃; for 6h; | 84% |
With phosphate buffer; Porcine Pancreas Lipase In chloroform; Petroleum ether at 56 - 60℃; for 88h; pH=7.0; | 67.9% |
Conditions | Yield |
---|---|
With potassium hydroxide In tetrahydrofuran at 120℃; for 18h; Schlenk technique; | 98% |
With sodium carbonate In acetonitrile at 120℃; for 24h; Schlenk technique; | 98% |
With pseudomonas fuorescens lipase immobilized on multiwall carbon nano-tubes at 50℃; for 12h; Green chemistry; | 69% |
In tetrahydrofuran; cyclohexane at 40℃; Rate constant; adsorbed Chromobacterium viscosum lipase; | |
With steapsin lipase In hexane at 55℃; for 60h; Enzymatic reaction; | 81 %Chromat. |
4-Methylanisole
carbon monoxide
methyl iodide
1-acetoxy-4-methylbenzene
Conditions | Yield |
---|---|
With iridium(III) chloride; triphenylphosphine In acetonitrile at 180℃; under 3750.38 Torr; for 20h; Autoclave; | 95% |
Conditions | Yield |
---|---|
With palladium diacetate; bis-[(trifluoroacetoxy)iodo]benzene at 80℃; for 17h; | 93% |
Conditions | Yield |
---|---|
With Amberlite IRA-400 for 2h; Ambient temperature; | 92% |
Conditions | Yield |
---|---|
With acetic acid | A 92% B n/a |
p-cresol
carbon monoxide
methyl iodide
1-acetoxy-4-methylbenzene
Conditions | Yield |
---|---|
With iridium(III) chloride; triphenylphosphine In acetonitrile at 180℃; under 3750.38 Torr; for 20h; Autoclave; | 91% |
Conditions | Yield |
---|---|
With oxygen; benzaldehyde; nickel(II) iodide; Dowex 50W; iron(II) In 1,2-dichloro-ethane at 20℃; for 7h; Baeyer-Villiger oxidation; | 87% |
With sodium perborate In acetic acid; trifluoroacetic acid for 8h; Ambient temperature; | 79% |
With dihydrogen peroxide In 1,2-dichloro-ethane at 80℃; for 24h; Baeyer-Villiger Ketone Oxidation; regioselective reaction; | 59% |
Conditions | Yield |
---|---|
With lithium bromide In dichloromethane at 30 - 35℃; for 12h; Inert atmosphere; | 86% |
Conditions | Yield |
---|---|
at 80℃; for 0.333333h; neat (no solvent); | 65% |
Conditions | Yield |
---|---|
With copper(II) acetate monohydrate In acetonitrile at 80℃; for 18h; Reagent/catalyst; Temperature; Sealed tube; | 64% |
With copper diacetate In acetonitrile at 80℃; for 4h; | 53% |
4-Methylanisole
acetyl chloride
A
1-acetoxy-4-methylbenzene
B
2,2'-dimethoxy-5,5'-dimethyl-1,1'-biphenyl
Conditions | Yield |
---|---|
CoCl2 In acetonitrile at 80℃; | A 45% B 52% |
4-methyl-4-acetyl-2-cyclohexen-1-one
1-acetoxy-4-methylbenzene
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In benzene for 220h; Heating; | 35% |
With benzenesulfonamide; benzeneseleninic anhydride In benzene for 48h; Heating; | |
With 2,3-dicyano-5,6-dichloro-p-benzoquinone |
perfluoroheptanoic acid
toluene
A
2-methylphenyl acetate
B
1-acetoxy-4-methylbenzene
E
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid p-tolyl ester
Conditions | Yield |
---|---|
With lead(IV) acetate at 80℃; for 7h; Mechanism; Product distribution; other temperature; | A n/a B n/a C n/a D 5% E n/a |
Conditions | Yield |
---|---|
With boric acid; xylene Entfernen des entstehenden H2O und Erhitzen des Reaktionsprodukts mit Essigsaeure; | |
With pyridine; acetic anhydride |
Conditions | Yield |
---|---|
at 50 - 60℃; zuletzt bei 140-150grad; |
Conditions | Yield |
---|---|
With oxygen; toluene-4-sulfonic acid at 90℃; |
Conditions | Yield |
---|---|
With chloroform |
p-cresol
1-acetyl-3-benzylimidazolium bromide
1-acetoxy-4-methylbenzene
Conditions | Yield |
---|---|
In chloroform for 0.3h; Ambient temperature; | 99 % Spectr. |
3-nitrophenyl acetate
p-cresolate
A
1-acetoxy-4-methylbenzene
B
3-nitrophenolate anion
Conditions | Yield |
---|---|
With potassium chloride In water at 25℃; Rate constant; |
3,4-dinitro-phenyl-acetate
p-cresolate
A
1-acetoxy-4-methylbenzene
B
3,4-dinitrophenoxide ion
Conditions | Yield |
---|---|
With potassium chloride In water at 25℃; Rate constant; |
acetic anhydride
toluene
A
2-methylphenyl acetate
B
3-acetoxytoluene
C
1-acetoxy-4-methylbenzene
Conditions | Yield |
---|---|
With hexaaquairon(II) perchlorate; dihydrogen peroxide; acetonitrile at 30℃; for 0.05h; Product distribution; Mechanism; se. aromatic and aliphatic hydrocarbons; further reagents: iron(II)-solvates; var. ratio of reagents; |
4-acetyl-4-methyl-6-phenylselenocyclohex-2-enone
A
p-cresol
B
1-acetoxy-4-methylbenzene
Conditions | Yield |
---|---|
With ozone In dichloromethane at -78 - 20℃; for 1.5h; Title compound not separated from byproducts; | |
With ozone In diethyl ether Product distribution; 1) -78 deg C, 2) to r.t.; |
acetic acid
toluene
A
2-methylphenyl acetate
B
3-acetoxytoluene
C
1-acetoxy-4-methylbenzene
Conditions | Yield |
---|---|
With palladium diacetate; sodium dichromate; methanesulfonic acid; benzonitrile at 90℃; for 16h; Product distribution; Mechanism; var. conc. of oxidazing agent, other aromatic compounds; |
p-cresol
4-nitrophenol acetate
A
4-nitro-phenol
B
1-acetoxy-4-methylbenzene
Conditions | Yield |
---|---|
In water; acetonitrile at 25℃; Rate constant; Mechanism; pH 10.00; |
Conditions | Yield |
---|---|
silica gel; toluene-4-sulfonic acid In water; toluene at 80℃; for 8h; | 100% |
With ammonium acetate In methanol at 20℃; for 4.5h; | 97% |
With mesoporous silica-supported (Salen) Co(II) catalyst In methanol at 20℃; for 1h; chemoselective reaction; | 95% |
1-acetoxy-4-methylbenzene
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane
Conditions | Yield |
---|---|
With manganese(II) triflate bis-acetonitrile solvate; potassium tert-butylate In benzene-d6 at 20℃; for 3h; Inert atmosphere; Glovebox; | 99% |
Conditions | Yield |
---|---|
With aluminium trichloride a) 130 deg C, 1 h, b) 25 deg C (ice cooling), 1 h; | 98% |
With phosphorus pentoxide; silica gel for 0.0833333h; Fries rearrangement; microwave irradiation; | 98% |
for 0.116667h; Rearrangement; microwave irradiation; | 97% |
1-acetoxy-4-methylbenzene
diphenyl acetylene
6-methyl-3,4-diphenyl-2H-chromen-2-one
Conditions | Yield |
---|---|
With copper acetylacetonate; tris(triphenylphosphine)ruthenium(II) chloride; di-n-butyliodotin hydride; 3-ethyl-1-methyl-1H-imidazol-3-ium 2,2,2-trifluoroacetate In 1,4-dioxane; dimethyl sulfoxide at 20 - 70℃; for 8h; Reagent/catalyst; Inert atmosphere; | 97.6% |
Conditions | Yield |
---|---|
With sodium methylate In N,N-dimethyl-formamide for 0.5h; Ambient temperature; | 95% |
Conditions | Yield |
---|---|
With copper(l) iodide; sulfur; sodium t-butanolate at 60 - 80℃; for 22h; | 92% |
With sulfur; nickel(II) ferrite; sodium t-butanolate at 90℃; for 24h; Green chemistry; | 90 %Chromat. |
p-Aminophenethylamine
1-acetoxy-4-methylbenzene
4-(2-(((methyl)carbonyl)amino)ethyl)aniline
Conditions | Yield |
---|---|
at 20℃; for 30h; | 89.7% |
at 20℃; for 30h; | 89.7% |
1-acetoxy-4-methylbenzene
4-acetoxybenzyl bromide
Conditions | Yield |
---|---|
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane at 50℃; for 3h; | 89.2% |
With N-Bromosuccinimide; dibenzoyl peroxide In chloroform for 4h; Reflux; | 79% |
With N-Bromosuccinimide; dibenzoyl peroxide In chloroform at 61℃; for 4h; | 66% |
1-acetoxy-4-methylbenzene
4-methylphenylboronic acid
di-(p-tolyl)sulfane
Conditions | Yield |
---|---|
With copper(l) iodide; sulfur; sodium t-butanolate at 60 - 80℃; for 25h; | 89% |
With sulfur; nickel(II) ferrite; sodium t-butanolate at 90℃; for 26h; Green chemistry; | 89 %Chromat. |
Conditions | Yield |
---|---|
With potassium fluoride; copper diacetate; potassium carbonate; sulfur at 80℃; for 12h; | 89% |
With sulfur; potassium fluoride; nickel(II) ferrite; potassium carbonate at 85℃; for 14h; Green chemistry; | 87 %Chromat. |
Conditions | Yield |
---|---|
With copper(l) iodide; sulfur; sodium t-butanolate In N,N-dimethyl-formamide at 120℃; for 15h; Inert atmosphere; | 88% |
With sulfur; nickel(II) ferrite; sodium t-butanolate In N,N-dimethyl-formamide at 120℃; for 17h; Inert atmosphere; Green chemistry; | 88 %Chromat. |
Conditions | Yield |
---|---|
With zinc(II) oxide In N,N-dimethyl-formamide for 0.133333h; microwave irradiation; | 83% |
With oxygen; manganese (II) acetate tetrahydrate; cobalt(II) diacetate tetrahydrate; acetic acid at 100℃; for 15h; | 83% |
With 2,2'-azobis(isobutyronitrile); oxygen; 1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione; cobalt(II) acetate; manganese(II) acetate In acetic acid at 100℃; under 760 Torr; for 6h; | 74% |
1-acetoxy-4-methylbenzene
azobisisobutyronitrile
1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione
4-acetyloxy-benzoic acid
Conditions | Yield |
---|---|
With acetic acid | 82% |
1-acetoxy-4-methylbenzene
4-methoxybenzoic acid
4-methylphenyl 4-methoxybenzoate
Conditions | Yield |
---|---|
With phosphotungstic acid In 5,5-dimethyl-1,3-cyclohexadiene at 160 - 170℃; Reagent/catalyst; | 82% |
1-acetoxy-4-methylbenzene
A
4-formylphenyl acetate
B
Acetic acid 4-nitrooxymethyl-phenyl ester
Conditions | Yield |
---|---|
With ammonium cerium(IV) nitrate In acetonitrile at 40℃; for 2.5h; Irradiation; | A n/a B 80% |
With ammonium cerium(IV) nitrate In acetonitrile at 40℃; for 2.5h; Mechanism; Irradiation; | A n/a B 80% |
Conditions | Yield |
---|---|
With phosphotungstic acid In 5,5-dimethyl-1,3-cyclohexadiene at 160 - 170℃; Reagent/catalyst; | 79% |
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide 1.) 0 deg C, 1 h, 2.) 25 deg C; | 78% |
4-Bromobenzoic acid
1-acetoxy-4-methylbenzene
4-methylphenyl 4-bromobenzoate
Conditions | Yield |
---|---|
With phosphotungstic acid In 5,5-dimethyl-1,3-cyclohexadiene at 160 - 170℃; Reagent/catalyst; | 78% |
IUPAC Name: (4-Methylphenyl) acetate
Synonyms: Acetic acid, 4-methylphenyl ester ; Acetyl p-cresol ; p-Cresyl acetate ; p-Cresylic acetate ; 4-Methylphenyl acetate ; 4-Methylphenylacetat ; Acetic acid 4-methylphenyl ester ; p-Tolyl acetate ; Tolyl acetate
The Molecular Formula of 4-Methylphenyl acetate (CAS NO.140-39-6):C9H10O2
The Molecular Weight of 4-Methylphenyl acetate (CAS NO.140-39-6):150.1745 g/mol
The Molecular Structure of 4-Methylphenyl acetate (CAS NO.140-39-6):
Index of Refraction: 1.503
Molar Refractivity: 42.41 cm3
Molar Volume: 143.3 cm3
Surface Tension: 34.1 dyne/cm
Density: 1.047 g/cm3
Flash Point: 85.4 °C
Enthalpy of Vaporization: 44.84 kJ/mol
Boiling Point: 212.1 °C at 760 mmHg
Vapour Pressure: 0.176 mmHg at 25°C
Density: 1.047 g/mL at 25 °C(lit.)
4-Methylphenyl acetate ,whose cas register No. is 140-39-6 ,can be used as food flavor and perfuming agent.
1. | orl-rat LD50:1900 mg/kg | FCTXAV Food and Cosmetics Toxicology. 12 (1974),391. | ||
2. | skn-rbt LD50:2100 mg/kg | FCTXAV Food and Cosmetics Toxicology. 12 (1974),391. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion and skin contact. Combustible liquid. When heated to decomposition it emits toxic smoke and irritating fumes. See also ESTERS.
Hazard Codes: Xn
Risk Statements: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 2
RTECS: AJ7570000
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