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| CAS No.: | 140-39-6 | |||
|---|---|---|---|---|
| Name: | P-TOLYL ACETATE | |||
| Molecular Structure: | ||||
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| 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: |
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| 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 | |||
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| 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. |
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| 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% |
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Chemistry
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.)
Uses
4-Methylphenyl acetate ,whose cas register No. is 140-39-6 ,can be used as food flavor and perfuming agent.
Toxicity Data With Reference
| 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. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
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