CAS No.140-39-6,P-TOLYL ACETATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	140-39-6
Name:	P-TOLYL ACETATE
Article Data:	208

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

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%

...Expand

: 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%

...Expand

: 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%

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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: 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