4-Cresyl phenylacetate supplier

Name
p-Tolyl phenylacetate
EINECS 202-990-1
CAS No. 101-94-0
Article Data18
CAS DataBase
Density 1.108 g/cm³
Solubility
Melting Point 74-76 °C(lit.)
Formula C₁₅H₁₄O₂
Boiling Point 359.7 °C at 760 mmHg
Molecular Weight 226.275
Flash Point 122.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, phenyl-, p-tolyl ester (6CI,7CI,8CI);NSC 5981;p-Cresyl 2-phenylacetate;p-Cresyl phenylacetate;p-Cresyl a-toluate;p-Tolyl phenylacetate;p-Tolyl a-toluate;4-Methylphenyl benzeneacetate;4-Methylphenylphenylacetat;4-Methylphenyl phenylacetate;
PSA 26.30000
LogP 3.14310

Synthetic route

: 106-44-5
p-cresol

: 15088-78-5
3-phenylethanoic dithioperoxyanhydride

: 101-94-0
p-tolyl phenylacetate

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 20℃; for 2h;	90%

: 106-44-5
p-cresol

: 260783-80-0
N,N,N-trimethyl-1-phenylmethanaminium trifluoromethanesulfonate

: 201230-82-2
carbon monoxide

: 101-94-0
p-tolyl phenylacetate

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; triphenylphosphine In toluene at 100℃; under 760.051 Torr; for 8h; Schlenk technique;	83%

...Expand

: 103-82-2
phenylacetic acid

: 106-44-5
p-cresol

: 101-94-0
p-tolyl phenylacetate

Conditions

Conditions	Yield
acid activated Indian bentonite catalyst In o-xylene for 4h; Heating;	80%
With PPA
With trichlorophosphate
With Amberlyst15 In neat (no solvent) at 90℃; Kinetics; Activation energy; Catalytic behavior; Reagent/catalyst; Time; Concentration; Temperature; Green chemistry;
With Fuller's Earth at 190℃;

: 103-82-2
phenylacetic acid

: 14643-62-0
tris(p-methylphenyl) borate

: 101-94-0
p-tolyl phenylacetate

: 1555-80-2
phenylacetic anhydride

: 106-44-5
p-cresol

: 101-94-0
p-tolyl phenylacetate

: 106-44-5
p-cresol

: 103-80-0
phenylacetyl chloride

: 101-94-0
p-tolyl phenylacetate

: α-p-tolyloxy-cinnamic acid

A: 124-38-9
carbon dioxide

B: 101-94-0
p-tolyl phenylacetate

C: 66694-13-1, 66694-16-4, 32546-88-6
styryl-p-tolyl ether

D CO: CO

Conditions

Conditions	Yield
at 260 - 270℃;

...Expand

: 103-82-2
phenylacetic acid

: 101-94-0
p-tolyl phenylacetate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetic acid anhydride View Scheme
Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 20 °C 2: sodium hydroxide / water / 2 h View Scheme

: 103-80-0
phenylacetyl chloride

: 101-94-0
p-tolyl phenylacetate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tetrabutylammomium bromide; sodium sulfide / toluene; water / 1 h / 20 °C 2: dmap; triethylamine / dichloromethane / 2 h / 20 °C View Scheme

: 103-83-3
N,N'-dimethylbenzylamine

: 101-94-0
p-tolyl phenylacetate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 0.5 h / 0 °C 2: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; triphenylphosphine; sodium carbonate / toluene / 8 h / 100 °C / 760.05 Torr / Schlenk technique View Scheme

: 101-94-0
p-tolyl phenylacetate

: 2491-34-1
1-(2-hydroxy-4-methylphenyl)-2-phenylethan-1-one

Conditions

Conditions	Yield
With Nafion-Na(1+) 117 membrane In water for 7h; Irradiation;	100%
Product distribution; Mechanism; Ambient temperature; Irradiation; photolysis on NaY zeolite;	100 % Spectr.

: 101-94-0
p-tolyl phenylacetate

: 100-46-9
benzylamine

: 7500-45-0
N-benzylphenylacetamide

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In dichloromethane Ambient temperature; electrolized at -1.7 V at 50 mA;	93%

: 107-10-8
propylamine

: 101-94-0
p-tolyl phenylacetate

: 64075-36-1
N-(n-propyl)phenylacetamide

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In dichloromethane Ambient temperature; electrolyzed at -1.7 V at 50 mA;	85%

: 101-94-0
p-tolyl phenylacetate

: 24258-63-7
1-(2-hydroxy-5-methylphenyl)-2-phenylethanone

Conditions

Conditions	Yield
With methanesulfonic acid; Methanesulfonic anhydride at 65℃; Fries rearrangement; Inert atmosphere; regioselective reaction;	81%
With aluminium trichloride at 130℃;
With aluminium trichloride 1.) CS2, 2.) 130-140 deg C, 3 h; Yield given. Multistep reaction;
With aluminum (III) chloride In chlorobenzene at 80℃;
With aluminum (III) chloride In chlorobenzene at 130℃; for 3h; Fries Phenol Ester Rearrangement;

: 101-94-0
p-tolyl phenylacetate

: 120-20-7
2-(3,4-dimethoxyphenyl)-ethylamine

: 4876-02-2
N-(3,4-dimethoxyphenethyl)-phenyl acetamide

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In dichloromethane Ambient temperature; electrolyzed at1.7 V at 50 mA;	80%

: 101-94-0
p-tolyl phenylacetate

: 618-36-0
rac-methylbenzylamine

: 17194-90-0
(S)-2-phenyl-N-(1-phenylethyl)acetamide

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In dichloromethane Ambient temperature; electrolyzed at -1.7 V at 50 mA;	65%

: 101-94-0
p-tolyl phenylacetate

: 60-09-3
aniline yellow

: 108133-62-6
2-Phenyl-N-(4-phenylazo-phenyl)-acetamide

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In dichloromethane Ambient temperature; electrolyzed at -1.7 V at 50 mA;	54%

: 101-94-0
p-tolyl phenylacetate

A: 2491-34-1
1-(2-hydroxy-4-methylphenyl)-2-phenylethan-1-one

B: 946-80-5
(benzyloxy)benzene

C: 103-29-7
1,1'-(1,2-ethanediyl)bisbenzene

D: 108-95-2
phenol

Conditions

Conditions	Yield
In acetonitrile Product distribution; Mechanism; Ambient temperature; Irradiation;	A 79.7 % Spectr. B 3.3 % Spectr. C 8.5 % Spectr. D 6.8 % Spectr.

...Expand

: 101-94-0
p-tolyl phenylacetate

A: 108-88-3
toluene

B: 108-95-2
phenol

Conditions

Conditions	Yield
Product distribution; Mechanism; Ambient temperature; Irradiation; photolysis on ZSM-5 zeolite;	A 100 % Spectr. B 73.0 % Spectr.

: 7446-70-0
aluminium trichloride

: 101-94-0
p-tolyl phenylacetate

: 24258-63-7
1-(2-hydroxy-5-methylphenyl)-2-phenylethanone

Conditions

Conditions	Yield
at 135℃;

: 101-94-0
p-tolyl phenylacetate

: 119304-62-0
3-Dimethylamino-1-(2-hydroxy-5-methyl-phenyl)-2-phenyl-propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) AlCl3 / 1.) CS2, 2.) 130-140 deg C, 3 h 2: 1.) HCl / 1.) EtOH, H2O, 60-70 deg C, 15 min, 2.) EtOH, H2O, reflux, 6 h View Scheme

: 101-94-0
p-tolyl phenylacetate

: 119304-61-9
3-Diethylamino-1-(2-hydroxy-5-methyl-phenyl)-2-phenyl-propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) AlCl3 / 1.) CS2, 2.) 130-140 deg C, 3 h 2: 1.) HCl / 1.) EtOH, H2O, 60-70 deg C, 15 min, 2.) EtOH, H2O, reflux, 6 h View Scheme

: 101-94-0
p-tolyl phenylacetate

: 119304-60-8
1-(2-Hydroxy-5-methyl-phenyl)-2-phenyl-3-pyrrolidin-1-yl-propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) AlCl3 / 1.) CS2, 2.) 130-140 deg C, 3 h 2: 1.) HCl / 1.) EtOH, H2O, 60-70 deg C, 15 min, 2.) EtOH, H2O, reflux, 6 h View Scheme

: 101-94-0
p-tolyl phenylacetate

: 119304-59-5
1-(2-Hydroxy-5-methyl-phenyl)-2-phenyl-3-piperidin-1-yl-propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) AlCl3 / 1.) CS2, 2.) 130-140 deg C, 3 h 2: 1.) HCl / 1.) EtOH, H2O, 60-70 deg C, 15 min, 2.) EtOH, H2O, reflux, 6 h View Scheme

: 101-94-0
p-tolyl phenylacetate

: 119304-58-4
1-(2-Hydroxy-5-methyl-phenyl)-3-morpholin-4-yl-2-phenyl-propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) AlCl3 / 1.) CS2, 2.) 130-140 deg C, 3 h 2: 1.) HCl / 1.) EtOH, H2O, 60-70 deg C, 15 min, 2.) EtOH, H2O, reflux, 6 h View Scheme

: 101-94-0
p-tolyl phenylacetate

: C16H14O2

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aluminum (III) chloride / chlorobenzene / 80 °C 2: trifluoroacetic acid; diisopropylamine / tetrahydrofuran / 67 °C View Scheme

: 101-94-0
p-tolyl phenylacetate

: 1-(2-hydroxy-5-methylphenyl)-2,3-diphenylpropan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aluminum (III) chloride / chlorobenzene / 80 °C 2: potassium carbonate / N,N-dimethyl acetamide / 20 °C View Scheme

: 101-94-0
p-tolyl phenylacetate

: 1-(2-hydroxy-5-methylphenyl)-2-phenyl-3-(o-tolyl)propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aluminum (III) chloride / chlorobenzene / 80 °C 2: potassium carbonate / N,N-dimethyl acetamide / 20 °C View Scheme

: 101-94-0
p-tolyl phenylacetate

: C23H22O2

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aluminum (III) chloride / chlorobenzene / 80 °C 2: potassium carbonate / N,N-dimethyl acetamide / 20 °C View Scheme

4-Cresyl phenylacetate Specification

The Benzeneacetic acid,4-methylphenyl ester, with the CAS registry number 101-94-0, is also known as 4-Cresyl phenylacetate. It belongs to Pharmaceutical Raw Materials; Alphabetical Listings; Flavors and Fragrances; Q-Z. Its EINECS number is 202-990-1. This chemical's molecular formula is C₁₅H₁₄O₂ and molecular weight is 226.27. What's more, its IUPAC name is called (4-methylphenyl) 2-phenylacetate.

Physical properties of Benzeneacetic acid,4-methylphenyl ester: (1)ACD/LogP: 3.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.76; (4)ACD/LogD (pH 7.4): 3.76; (5)ACD/BCF (pH 5.5): 424.1; (6)ACD/BCF (pH 7.4): 424.1; (7)ACD/KOC (pH 5.5): 2644.5; (8)ACD/KOC (pH 7.4): 2644.5; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 66.9 cm³; (15)Molar Volume: 204 cm³; (16)Surface Tension: 41.7 dyne/cm; (17)Density: 1.108 g/cm³; (18)Flash Point: 122.3 °C; (19)Enthalpy of Vaporization: 60.53 kJ/mol; (20)Boiling Point: 359.7 °C at 760 mmHg; (21)Vapour Pressure: 2.33E-05 mmHg at 25°C.

Uses of Benzeneacetic acid,4-methylphenyl ester: it can be used to produce phenyl-acetic acid benzylamide at the ambient temperature. It will need reagent tetrabutylammonium iodide and solvent dichloromethane. The reaction is electrolized at -1.7V at 50 mA. The yield is about 93%.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1=CC=C(C=C1)OC(=O)CC2=CC=CC=C2
(2)InChI: InChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
(3)InChIKey: OJEQSSJFSNLMLB-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 13, Pg. 775, 1975.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 13, Pg. 775, 1975.

Product Name

p-Tolyl phenylacetate

Synthetic route

4-Cresyl phenylacetate Specification

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