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Phenethyl Phenylacetate

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Name

Phenethyl Phenylacetate

EINECS 203-013-1
CAS No. 102-20-5 Density 1.082 g/cm3
PSA 26.30000 LogP 3.01500
Solubility 15.56-22mg/L at 20-22℃ Melting Point 28 °C(lit.)
Formula C16H16O2 Boiling Point 359.9 °C at 760 mmHg
Molecular Weight 240.302 Flash Point 145.8 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/38
Molecular Structure Molecular Structure of 102-20-5 (Phenethyl phenylacetate) Hazard Symbols IrritantXi
Synonyms

Benzylcarbinyl a-toluate;NSC 6676;Phenethyl phenylacetate;Phenylethyl phenylacetate;b-Phenylethyl phenylacetate;Aceticacid, phenyl-, phenethyl ester (6CI,7CI,8CI);2-Phenylethyl phenylacetate;

Article Data 50

Phenethyl Phenylacetate Synthetic route

60-12-8

2-phenylethanol

A

102-20-5

phenyl-acetic acid phenethyl ester

B

122-78-1

phenylacetaldehyde

Conditions
ConditionsYield
With silica gel; 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium perchlorate In dichloromethaneA 4%
B 99%
With pyridine; 4-acetylamino-2,2,6,6-tetramethylpiperidine-N-oxyl; iodine; sodium hydrogencarbonate In dichloromethane; water at 20 - 25℃; for 3h;A 58.7%
B 41.3%
With oxygen at 120℃; for 5h; Neat (no solvent);
With pyridine; 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy; iodine; sodium hydrogencarbonate In dichloromethane; water at 20 - 22℃; for 3h; Catalytic behavior; Time;A 71 %Chromat.
B 23 %Chromat.
With 2,6-dimethylpyridine; 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy; iodine; sodium hydrogencarbonate In dichloromethane; water at 20 - 22℃; for 3h; Catalytic behavior; Time;A 12 %Chromat.
B 86 %Chromat.
103-82-2

phenylacetic acid

60-12-8

2-phenylethanol

102-20-5

phenyl-acetic acid phenethyl ester

Conditions
ConditionsYield
With potassium hydroxide98.6%
With C10H10Zr(2+)*2CF3O3S(1-)*C4H8O at 80℃; for 24h; Sealed tube;95%
With silica gel-immobilized perchloric acid at 80℃; for 6h; Fischer esterification; Inert atmosphere; Neat (no solvent);94%
60-12-8

2-phenylethanol

102-20-5

phenyl-acetic acid phenethyl ester

Conditions
ConditionsYield
With periodic acid; pyridinium chlorochromate In acetonitrile at 0 - 20℃; for 2h;94%
With sodium bromite In water; acetic acid for 10h; Ambient temperature;91%
With peracetic acid; sodium bromide In ethyl acetate at 39.9℃; for 2h;86%
60-12-8

2-phenylethanol

75-64-9

tert-butylamine

A

102-20-5

phenyl-acetic acid phenethyl ester

B

24070-10-8

2-methyl-N-phenethylpropan-2-amine

Conditions
ConditionsYield
With 3 A molecular sieve; potassium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; [Ru(p-cumene)Cl2]2 In toluene at 110℃; for 24h; Product distribution; Further Variations:; Catalysts;A 7%
B 88%
With 3 A molecular sieve; potassium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; [Ru(p-cumene)Cl2]2 In toluene at 110℃; for 24h;A 61%
B n/a
122-78-1

phenylacetaldehyde

102-20-5

phenyl-acetic acid phenethyl ester

Conditions
ConditionsYield
With Rh(PhBP3)(H)2(NCMe); hydrogen In toluene at 20℃; under 760.051 Torr; for 0.166667h; Tishchenko reaction;85%
60-12-8

2-phenylethanol

536-74-3

phenylacetylene

A

103-82-2

phenylacetic acid

B

102-20-5

phenyl-acetic acid phenethyl ester

Conditions
ConditionsYield
With dihydrogen peroxide; methyltrioxorhenium(VII) for 48h;A 50%
B 47%
60-12-8

2-phenylethanol

A

102-20-5

phenyl-acetic acid phenethyl ester

B

108-88-3

toluene

Conditions
ConditionsYield
With [RuCl2(p-cymene)(iPr2-imy)]; potassium hydroxide; tricyclohexylphosphine In 1,3,5-trimethyl-benzene at 163℃; for 18h; Inert atmosphere;A 48%
B 7%
60-12-8

2-phenylethanol

142-84-7

di-n-propylamine

A

102-20-5

phenyl-acetic acid phenethyl ester

B

25173-09-5

2-phenyl-N,N-dipropylacetamide

Conditions
ConditionsYield
With C15H22Cl2N2Ru; potassium tert-butylate In toluene for 24h; Inert atmosphere; Reflux;A 21%
B 44%
60-12-8

2-phenylethanol

103-49-1

dibenzylamine

A

102-20-5

phenyl-acetic acid phenethyl ester

B

102459-18-7

N,N-dibenzyl-2-phenylacetamide

Conditions
ConditionsYield
With C15H22Cl2N2Ru; potassium tert-butylate In toluene for 24h; Inert atmosphere; Reflux;A 19%
B 40%
103-82-2

phenylacetic acid

A

60-12-8

2-phenylethanol

B

102-20-5

phenyl-acetic acid phenethyl ester

Conditions
ConditionsYield
With rhenium-catalyst at 149℃; under 117681 Torr; Hydrogenation;
With tin(II) trifluoromethanesulfonate; tris(2,4-pentanedionato)ruthenium(III); hydrogen; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In water; toluene at 160℃; under 45004.5 Torr; for 48h; Reagent/catalyst; Autoclave;A 49 %Chromat.
B 20 %Chromat.

Phenethyl Phenylacetate Chemical Properties

Name:  Phenethyl phenylacetate
Synonyms: FEMA 2866;BETA PHENYL ETHYL PHENYL ACETATE;B-PHENYLETHYL PHENYLACETATE;2-PHENYLETHYL PHENYLACETATE;PHENYL ETHYL PHENYL ACETATE;PHENYLACETIC ACID 2-PHENYLETHER ESTER;PHENYLACETIC ACID 2-PHENYLETHYL ESTER;PHENETHYL PHENYLACETATE
CAS: 102-20-5
Molecular Formula:  C16H16O2
Molecular Weight:  240.30
CAS Registry Number:  102-20-5
EINECS:  203-013-1
Density:  1.082
Melting point:  28 oC
Boiling point:  325 oC
Refractive index:  1.55
Flash point:  113 oC
FEMA:  2866
refractive index:  n20/D 1.55(lit.)
Beilstein/Gmelin: 2214383
Beilstein Reference: 3-09-00-02183
Solubility in water:  Insoluble
Vapor Pressure: 2.3E-5 (25 C)
Heat Of Vaporization: 60.6 kJ/mol

Phenethyl Phenylacetate Uses

Food additive

Phenethyl Phenylacetate Toxicity Data With Reference

RTECS  AJ3255000

Phenethyl Phenylacetate Safety Profile

Hazard Codes:  Xi
Risk Codes:  R36/38  
Safety Description:  S26;S36    
WGK Germany:  2
First Aid Measures
Ingestion
If swallowed, wash out mouth with water provided person is conscious and then call a physician.
Inhalation
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Skin
In case of contact,  wash skin with soap and plenty of water right away.
Eyes
In case of contact, flush eyes with plenty of water for 15 minutes or more.
Personal Protection
Wear protective gloves and goggles.

Phenethyl Phenylacetate Specification

This product should be kept tightly closed and stored in a cool dry place.

Small spills/leaks
Sweep up,  place in a bag and hold for waste disposal. Avoid raising dust. Ventilate area and wash spill site after material pickup is complete.

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