CAS No.122-79-2,Phenyl acetate Suppliers,MSDS download

Products Categories

Pharmaceutical (69)
Others (19)
Organic Chemicals (18)
Reagent (5)
Materials (3)
Basic Inorganic Chemicals (1)
Food Additives (1)

Basic Information

Molecular Structure:
CAS No.:	122-79-2
Name:	Phenyl acetate
Article Data:	474

Formula:	C₈H₈O₂
Molecular Weight:	136.15
Synonyms:	(Acetyloxy)benzene;Acetoxybenzene;NSC 27795;Phenol acetate;Acetic acid, phenyl ester;o-Acetylphenol;
EINECS:	204-575-0
Density:	1.072 g/cm³
Melting Point:	195-196℃
Boiling Point:	195.499 °C at 760 mmHg
Flash Point:	79.73 °C
Solubility:	miscible with ethanol, ethyl ether, chloroform and acetic acid, hardly soluble in water
Appearance:	colourless liquid
Hazard Symbols:	Xn,Xi
Risk Codes:	22
Safety:	36
PSA:	26.30000
LogP:	1.61190

Synthetic route

: 108-24-7
acetic anhydride

: 108-95-2
phenol

: 122-79-2
Phenyl acetate

Conditions

Conditions	Yield
With pyridine; aluminum oxide at 103 - 105℃; for 2h; microwave irradiation;	100%
With 2,6-di-tert-butyl-pyridine; sodium tetracarbonyl cobaltate In acetonitrile for 12h;	100%
With SBA-15-Ph-Pr-SO3H at 20℃; for 0.25h;	100%

: 108-22-5
Isopropenyl acetate

: 108-95-2
phenol

A: 67-64-1
acetone

B: 122-79-2
Phenyl acetate

Conditions

Conditions	Yield
With potassium carbonate; Aliquat 336 In neat (no solvent) at 70℃; for 0.5h;	A n/a B 100%
With potassium carbonate; Aliquat 336 In neat (no solvent) at 70℃; for 0.5h; Product distribution;	A n/a B 100%

...Expand

: 72918-80-0
Ni(CH3)(OC6H5)(C10H8N2)

A: 14917-14-7
Ni(CO)2(2,2'-bipyridine)

B: 122-79-2
Phenyl acetate

Conditions

Conditions	Yield
With carbon monoxide In tetrahydrofuran (N2 or Ar), complex dissolved in THF, evacuated, excess CO introduced at room temp.C for 0.3 h; IR;	A n/a B 100%
With carbon monoxide In tetrahydrofuran (N2 or Ar), complex dissolved in THF, evacuated, equimolar amount CO introduced at -78°C for 10 h; IR;	A n/a B 31%

: 75-36-5
acetyl chloride

: 108-95-2
phenol

: 122-79-2
Phenyl acetate

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In acetonitrile at 20℃; for 1h;	99%
In cyclohexane at 20℃; Solvent; Temperature;	99%
montmorillonite K-10 In dichloromethane for 2h; Ambient temperature;	98%

: 98-86-2
acetophenone

: 122-79-2
Phenyl acetate

Conditions

Conditions	Yield
With oxone; silica gel In dichloromethane at 20℃; for 16h; Baeyer-Villiger oxidation;	99%
With 3-chloro-benzenecarboperoxoic acid In water at 80℃; for 2h; Oxidation;	89%
With 3-chloro-benzenecarboperoxoic acid In water at 80℃; for 1.5h;	85%

: 108-05-4
vinyl acetate

: 108-95-2
phenol

: 122-79-2
Phenyl acetate

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane In neat (no solvent) at 70 - 140℃; for 0.183333h; Catalytic behavior; Temperature; Solvent; Reagent/catalyst; Time; Microwave irradiation;	99%
With Rasta resin-(1,5,7-triazabicyclo[4.4.0]dec-5-ene)[RR-TBD] In tetrahydrofuran at 20 - 60℃;	97%
With 4 A molecular sieve; tetrabutylammonium tricarbonylnitrosylferrate In hexane at 80℃; for 24h;	80%

: 201230-82-2
carbon monoxide

: 74-88-4
methyl iodide

: 108-95-2
phenol

: 122-79-2
Phenyl acetate

Conditions

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

...Expand

: 2247-91-8
1,1,1-Trifluoro-2-(acetyloxy)-2-propene

: 108-95-2
phenol

: 122-79-2
Phenyl acetate

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane In neat (no solvent) at 60 - 140℃; for 0.183333h; Microwave irradiation;	93%

: 82969-01-5
4-acetoxyphenyl tosylate

: 122-79-2
Phenyl acetate

Conditions

Conditions	Yield
With dimethylamine borane; potassium carbonate; tricyclohexylphosphine; bis(triphenylphosphine)nickel(II) chloride In N,N-dimethyl-formamide at 20℃; for 14h;	92%

: 2033-24-1
cycl-isopropylidene malonate

: 108-95-2
phenol

: 122-79-2
Phenyl acetate

Conditions

Conditions	Yield
With triethylamine In toluene for 12h; Inert atmosphere; Reflux;	92%

Raw Materials

60-35-5

766-94-9

563-63-3

Downstream Products

102-29-4

574-19-6

106-41-2

7440-31-5

3034-08-0

50329-91-4

619-90-9

75-65-0

Total:96 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 122-79-2

Consensus Reports

Reported in EPA TSCA Inventory.

Specification

Phenyl acetate is an organic compound with the formula C₈H₈O₂, and its systematic name is the same with the product name. With the CAS registry number 122-79-2, it is also named as Acetic acid, phenyl ester. It belongs to the product category of Organics. Its EINECS number is 204-575-0. In addition, the molecular weight is 136.15. Its classification code is Skin / Eye Irritant. This substance is used as a solvent and organic synthesis intermediates. This chemical is flammable. When meet high flame, it is easy to burn. It is harmful if swallowed. When using it, you need wear suitable protective clothing.

Physical properties of Phenyl acetate are: (1)ACD/LogP: 1.653; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.62; (6)ACD/BCF (pH 7.4): 10.62; (7)ACD/KOC (pH 5.5): 188.83; (8)ACD/KOC (pH 7.4): 188.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 37.594 cm³; (15)Molar Volume: 127.062 cm³; (16)Polarizability: 14.903×10^-24cm³; (17)Surface Tension: 34.88 dyne/cm; (18)Density: 1.072 g/cm³; (19)Flash Point: 79.73 °C; (20)Enthalpy of Vaporization: 43.17 kJ/mol; (21)Boiling Point: 195.499 °C at 760 mmHg; (22)Vapour Pressure: 0.4 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid and phenol at the ambient temperature. This reaction will need reagents Ph₃P, CCl₄, Et₃N and solvent acetonitrile with the reaction time of 4 hours. The yield is about 97%.

Phenyl can be prepared by acetic acid and phenol at the ambient temperature

Uses of Phenyl acetate: it can be used to produce benzyloxy-benzene at the ambient temperature. It will need reagent NaOMe and solvent dimethylformamide with the reaction time of 0.5 hour. The yield is about 93%.

Phenyl acetate can be used to produce benzyloxy-benzene at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)Oc1ccccc1
(2)Std. InChI: InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
(3)Std. InChIKey: IPBVNPXQWQGGJP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	8mL/kg (8mL/kg)		Union Carbide Data Sheet. Vol. 11/4/1964,
rat	LD50	oral	1630uL/kg (1.63mL/kg)		American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.