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Cas Database

Name	p-Tolyl acetate	EINECS	205-413-1
CAS No.	140-39-6	Density	1.047
PSA	26.30000	LogP	1.92030
Solubility	Insoluble			Melting Point	48.5 °C
Formula	C9H10 O2	Boiling Point	210 - 211 C
Molecular Weight	150.177	Flash Point	90 ºC
Transport Information	200kgs	Appearance	clear liquid
Safety	Moderately toxic by ingestion and skin contact. Combustible liquid. When heated to decomposition it emits toxic smoke and irritating fumes. See also ESTERS.	Risk Codes	R22;R36/37/38
Molecular Structure		Hazard Symbols
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	Article Data	208

p-Tolyl acetate Synthetic route

: 106-44-5
p-cresol

: 108-24-7
acetic anhydride

: 140-39-6
1-acetoxy-4-methylbenzene

Conditions

Conditions	Yield
With pyridine at 100℃; for 15h;	100%
at 20℃; for 0.666667h;	100%
With pyridine at 25℃; for 12h;	100%

: 106-44-5
p-cresol

: 75-36-5
acetyl chloride

: 140-39-6
1-acetoxy-4-methylbenzene

Conditions

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%

: 106-44-5
p-cresol

: 64-19-7
acetic acid

: 140-39-6
1-acetoxy-4-methylbenzene

Conditions

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%

: 108-05-4
vinyl acetate

: 106-44-5
p-cresol

: 140-39-6
1-acetoxy-4-methylbenzene

Conditions

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.

: 104-93-8
4-Methylanisole

: 201230-82-2
carbon monoxide

: 74-88-4
methyl iodide

: 140-39-6
1-acetoxy-4-methylbenzene

Conditions

Conditions	Yield
With iridium(III) chloride; triphenylphosphine In acetonitrile at 180℃; under 3750.38 Torr; for 20h; Autoclave;	95%

: 3728-43-6
p-(trimethylsilyl)toluene

: 64-19-7
acetic acid

: 140-39-6
1-acetoxy-4-methylbenzene

Conditions

Conditions	Yield
With palladium diacetate; bis-[(trifluoroacetoxy)iodo]benzene at 80℃; for 17h;	93%

: 22113-51-5
p-cresolate

: 108-24-7
acetic anhydride

: 140-39-6
1-acetoxy-4-methylbenzene

Conditions

Conditions	Yield
With Amberlite IRA-400 for 2h; Ambient temperature;	92%

: 106-44-5
p-cresol

A: 2345-34-8
4-acetyloxy-benzoic acid

B: 140-39-6
1-acetoxy-4-methylbenzene

Conditions

Conditions	Yield
With acetic acid	A 92% B n/a

: 106-44-5
p-cresol

: 201230-82-2
carbon monoxide

: 74-88-4
methyl iodide

: 140-39-6
1-acetoxy-4-methylbenzene

Conditions

Conditions	Yield
With iridium(III) chloride; triphenylphosphine In acetonitrile at 180℃; under 3750.38 Torr; for 20h; Autoclave;	91%

: 122-00-9
para-methylacetophenone

: 140-39-6
1-acetoxy-4-methylbenzene

Conditions

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%

p-Tolyl acetate Chemical Properties

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.)

p-Tolyl acetate Uses

4-Methylphenyl acetate ,whose cas register No. is 140-39-6 ,can be used as food flavor and perfuming agent.

p-Tolyl acetate 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.

p-Tolyl acetate Consensus Reports

Reported in EPA TSCA Inventory.

p-Tolyl acetate 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: Harmful 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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