CAS No.102-20-5,Phenethyl phenylacetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102-20-5
Name:	Phenethyl phenylacetate
Article Data:	50

Formula:	C₁₆H₁₆O₂
Molecular Weight:	240.302
Synonyms:	Benzylcarbinyl a-toluate;NSC 6676;Phenethyl phenylacetate;Phenylethyl phenylacetate;b-Phenylethyl phenylacetate;Aceticacid, phenyl-, phenethyl ester (6CI,7CI,8CI);2-Phenylethyl phenylacetate;
EINECS:	203-013-1
Density:	1.082 g/cm³
Melting Point:	28 °C(lit.)
Boiling Point:	359.9 °C at 760 mmHg
Flash Point:	145.8 °C
Solubility:	15.56-22mg/L at 20-22℃
Hazard Symbols:	Xi
Risk Codes:	36/38
Safety:	26-36
PSA:	26.30000
LogP:	3.01500

Synthetic route

: 60-12-8
2-phenylethanol

A: 102-20-5
phenyl-acetic acid phenethyl ester

B: 122-78-1
phenylacetaldehyde

Conditions

Conditions	Yield
With silica gel; 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium perchlorate In dichloromethane	A 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

Conditions	Yield
With potassium hydroxide	98.6%
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

Conditions	Yield
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

Conditions	Yield
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

...Expand

: 122-78-1
phenylacetaldehyde

: 102-20-5
phenyl-acetic acid phenethyl ester

Conditions

Conditions	Yield
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

Conditions	Yield
With dihydrogen peroxide; methyltrioxorhenium(VII) for 48h;	A 50% B 47%

...Expand

: 60-12-8
2-phenylethanol

A: 102-20-5
phenyl-acetic acid phenethyl ester

B: 108-88-3
toluene

Conditions

Conditions	Yield
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

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

...Expand

: 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

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

...Expand

: 103-82-2
phenylacetic acid

A: 60-12-8
2-phenylethanol

B: 102-20-5
phenyl-acetic acid phenethyl ester

Conditions

Conditions	Yield
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.

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Chemistry

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

Uses

Food additive

Toxicity Data With Reference

RTECS AJ3255000

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.

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.