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CAS No.: | 140-39-6 | |||
---|---|---|---|---|
Name: | P-TOLYL ACETATE | |||
Article Data: | 208 | |||
Molecular Structure: | ||||
Formula: | C9H10 O2 | |||
Molecular Weight: | 150.177 | |||
Synonyms: | Aceticacid, p-tolyl ester (6CI,7CI,8CI); 4-Acetoxytoluene; 4-Methylphenyl acetate;4-Tolyl acetate; NSC 43244; NSC 65594; Narceol; p-Acetoxytoluene; p-Cresolacetate; p-Methylphenyl acetate; p-Tolyl acetate; p-Tolyl ethanoate | |||
EINECS: | 205-413-1 | |||
Density: | 1.047 | |||
Melting Point: | 48.5 °C | |||
Boiling Point: | 210 - 211 C | |||
Flash Point: | 90 ºC | |||
Solubility: | Insoluble | |||
Appearance: | clear liquid | |||
Hazard Symbols: | ||||
Risk Codes: | R22;R36/37/38 | |||
Safety: | Moderately toxic by ingestion and skin contact. Combustible liquid. When heated to decomposition it emits toxic smoke and irritating fumes. See also ESTERS. | |||
Transport Information: | 200kgs | |||
PSA: | 26.30000 | |||
LogP: | 1.92030 |
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 |
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% |
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