Product Name

  • Name

    Phenethyl acetate

  • EINECS 203-113-5
  • CAS No. 103-45-7
  • Article Data245
  • CAS DataBase
  • Density 1.03 g/cm3
  • Solubility NEGLIGIBLE
  • Melting Point -31 °C
  • Formula C10H12O2
  • Boiling Point 233.3 °C at 760 mmHg
  • Molecular Weight 164.204
  • Flash Point 101.7 °C
  • Transport Information
  • Appearance clear colorless to pale yellow liquid
  • Safety 24/25
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 103-45-7 (Phenethyl acetate)
  • Hazard Symbols 36/37/38:;
  • Synonyms Aceticacid, phenethyl ester (8CI);Phenethyl alcohol, acetate (6CI);2-Phenethylacetate;2-Phenylethyl acetate;Benzylcarbinyl acetate;NSC 71927;Acetic acid,2-phenylethyl ester;Phenylethyl ethanoate;b-Phenethyl acetate;b-Phenylethanol acetate;b-Phenylethyl acetate;
  • PSA 26.30000
  • LogP 1.79220

Synthetic route

2-phenylethanol
60-12-8

2-phenylethanol

acetic anhydride
108-24-7

acetic anhydride

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With magnesium(II) perchlorate at 20℃; for 0.25h;100%
Stage #1: acetic anhydride With molybdenium(VI) dioxodichloride In dichloromethane at 20℃; for 0.5h;
Stage #2: 2-phenylethanol In dichloromethane at 20℃; for 0.1h;		100%
With boron trifluoride diethyl etherate In ethyl acetate for 0.00138889h;100%
Acetyl bromide
506-96-7

Acetyl bromide

1-tert-butyldimethylsilyloxy-2-phenylethane
78926-09-7

1-tert-butyldimethylsilyloxy-2-phenylethane

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With tin(II) bromide In dichloromethane for 0.3h; Ambient temperature;100%
2-phenylethanol
60-12-8

2-phenylethanol

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
Stage #1: acetic anhydride; TiO(OTf)2 In dichloromethane at 20℃; for 0.5h;
Stage #2: 2-phenylethanol In dichloromethane at 20℃; for 0.3h; Product distribution / selectivity;		100%
Stage #1: acetic anhydride; bis(tetrahydrofurane)oxovanadium(IV) dichloride In dichloromethane at 20℃; for 0.5h;
Stage #2: 2-phenylethanol In dichloromethane at 20℃; for 12h; Product distribution / selectivity;		99%
Stage #1: acetic anhydride; bis(acetylacetonato)dioxidomolybdenum(VI) In dichloromethane at 20℃; for 0.5h;
Stage #2: 2-phenylethanol In dichloromethane at 20℃; for 16h; Product distribution / selectivity;		98%
vinyl acetate
108-05-4

vinyl acetate

2-phenylethanol
60-12-8

2-phenylethanol

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With 1,3-dichlorotetrabutyldistannoxane In toluene for 0.5h; Heating;99%
With lipase from Candida rugosa at 50℃; for 48h; Enzymatic reaction;99.4%
With pseudomonas fuorescens lipase immobilized on multiwall carbon nano-tubes at 50℃; for 4h; Green chemistry;99%
2-phenylethanol
60-12-8

2-phenylethanol

acetic acid
64-19-7

acetic acid

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
scandium tris(trifluoromethanesulfonate) for 24h; Ambient temperature;99%
With Cp2Ti(OSO2C8F17)2 at 80℃; for 2h; Neat (no solvent);99%
With zirconocene bis(perfluorooctanesulfonate) trihydrate*(tetrahydrofuran) In neat (no solvent) at 80℃; Catalytic behavior; Solvent; Sealed tube; Green chemistry; chemoselective reaction;99%
2-phenylethanol
60-12-8

2-phenylethanol

acetyl chloride
75-36-5

acetyl chloride

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With Cp2Ti(OSO2C8F17)2 at 20℃; Neat (no solvent);99%
zirconium(IV) oxychloride at 20℃; for 0.00833333h;98%
bismuth(III) oxychloride at 20℃; for 0.00833333h;97%
Isopropenyl acetate
108-22-5

Isopropenyl acetate

2-phenylethanol
60-12-8

2-phenylethanol

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With 1,3-dichlorotetrabutyldistannoxane for 2h; Heating;99%
With zirconocene bis(perfluorooctanesulfonate) trihydrate*(tetrahydrofuran) In neat (no solvent) at 65℃; for 5h; Sealed tube; Green chemistry; chemoselective reaction;92%
With 1-ethyl-3-methylimidazolium acetate at 80℃; for 16h; Catalytic behavior; Reagent/catalyst; Inert atmosphere;55.7%
With iron(III) trifluoromethanesulfonate at 20℃; for 5h; Schlenk technique;
trimethyl(phenethyloxy)silane
14629-58-4

trimethyl(phenethyloxy)silane

acetic anhydride
108-24-7

acetic anhydride

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
bismuth(lll) trifluoromethanesulfonate In acetonitrile at 20℃; for 0.25h;99%
With polyvinylpolypyrrolidone-bound boron trifluoride In acetonitrile at 20℃; for 1h;97%
With alumina supported P2O5 at 20℃; for 0.833333h; neat (no solvent);90%
Sulfate; titanium(IV) oxide at 20℃; for 0.2h;84%
2-phenylethanol
60-12-8

2-phenylethanol

2-acetyl-4,5-dichloropyridazin-3(2H)-one
155164-63-9

2-acetyl-4,5-dichloropyridazin-3(2H)-one

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
Stage #1: 2-phenylethanol With aluminum (III) chloride In tetrahydrofuran for 0.5h;
Stage #2: 2-acetyl-4,5-dichloropyridazin-3(2H)-one In tetrahydrofuran at 20℃; for 0.166667h; Time;		99%
acetyl chloride
75-36-5

acetyl chloride

1-(tert-butyldiphenylsiloxy)-2-phenylethane
105966-41-4

1-(tert-butyldiphenylsiloxy)-2-phenylethane

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With zinc(II) chloride In acetonitrile for 0.1h; Ambient temperature;98%
With zinc(II) chloride In acetonitrile for 0.8h; Ambient temperature;88%
2-phenylethanol
60-12-8

2-phenylethanol

ethyl acetate
141-78-6

ethyl acetate

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With 1,3-dichlorotetrabutyldistannoxane for 12h; Heating;98%
for 6h; Heating;97%
Stage #1: 2-phenylethanol With potassium tert-butylate In dimethyl sulfoxide at 20℃; for 0.166667h; Inert atmosphere;
Stage #2: ethyl acetate In dimethyl sulfoxide at 20℃; for 0.166667h; Inert atmosphere;		97%
trimethyl(phenethyloxy)silane
14629-58-4

trimethyl(phenethyloxy)silane

acetic acid
64-19-7

acetic acid

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
bismuth(lll) trifluoromethanesulfonate for 0.416667h; Heating;98%
2-(2-phenylethoxy)tetrahydro-2H-pyran
1927-61-3

2-(2-phenylethoxy)tetrahydro-2H-pyran

acetic acid
64-19-7

acetic acid

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
bismuth(lll) trifluoromethanesulfonate for 0.5h; Heating;98%
K5 for 3.5h; Heating;95 % Chromat.
2-phenylethanol
60-12-8

2-phenylethanol

acetylacetone
123-54-6

acetylacetone

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With iron(III) chloride at 80℃; for 16h; Retro-Claisen condensation; Neat (no solvent);98%
With iron(III) trifluoromethanesulfonate at 80℃; for 10h; Retro-Claisen condensation; Neat (no solvent);98%
indium(III) triflate at 80℃; for 24h; retro-Claisen condensation;95%
[2-(ethoxymethoxy)ethyl]benzene
54673-17-5

[2-(ethoxymethoxy)ethyl]benzene

acetic anhydride
108-24-7

acetic anhydride

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With 12-tungstophosphoric acid immobilized on [bmim][FeCl4] at 120 - 130℃; for 0.025h; Microwave irradiation;96%
With 1-butyl-3-methylimidazolium tetrachloroindate at 145 - 150℃; for 0.0416667h; Microwave irradiation;92%
With 1-methylimidazole hydrogen sulfate at 120℃; for 0.05h; Microwave irradiation; chemoselective reaction;90%
2-phenylethanol
60-12-8

2-phenylethanol

acetic anhydride
108-24-7

acetic anhydride

A

acetic acid
64-19-7

acetic acid

B

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With 3-((3-(trisilyloxy)propyl)propionamide)-1-methylimidazolium chloride ionic liquid supported on magnetic nanoparticle Fe2O3 at 20℃; for 1.33333h;A n/a
B 96%
...Expand
2-phenylethanol
60-12-8

2-phenylethanol

acetaldehyde
75-07-0

acetaldehyde

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With N,N,N,N,N,N-hexamethylphosphoric triamide; bromine; sodium hydrogencarbonate In dichloromethane; water95%
Acetyl bromide
506-96-7

Acetyl bromide

(phenethyloxy)triphenylmethane
7500-77-8

(phenethyloxy)triphenylmethane

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
In 1,2-dichloro-ethane at 20℃; for 1h;95%
2-phenylethanol
60-12-8

2-phenylethanol

3-Methyl-2,4-pentanedione
815-57-6

3-Methyl-2,4-pentanedione

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
indium(III) triflate at 80℃; for 24h; retro-Claisen condensation;95%
With iron(III) chloride at 80℃; for 16h; Retro-Claisen condensation; Neat (no solvent);95%
Acetyl bromide
506-96-7

Acetyl bromide

trimethyl(phenethyloxy)silane
14629-58-4

trimethyl(phenethyloxy)silane

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With tin(II) bromide In dichloromethane for 0.333333h; Ambient temperature;94%
With tin(II) bromide In dichloromethane for 0.333333h; Product distribution; Ambient temperature; variation of acetylating agent, Lewis-acid reagent, and time;94%
2-phenylethanol
60-12-8

2-phenylethanol

1-acetyl-3-benzylimidazolium bromide
85106-60-1

1-acetyl-3-benzylimidazolium bromide

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
In chloroform for 1h; Ambient temperature;94%
In chloroform for 1h; Product distribution; Ambient temperature; variation of solvents;94%
2-phenylethanol
60-12-8

2-phenylethanol

N-acetyl-1,3-oxazol-2-one
60759-49-1

N-acetyl-1,3-oxazol-2-one

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
zirconium acetylacetonate In acetonitrile for 17h; Ambient temperature;94%
zirconium acetylacetone In acetonitrile for 17h; Product distribution; Ambient temperature; various catalysts, other alcohols investigated;94%
vanadium(IV) chloride

vanadium(IV) chloride

2-phenylethanol
60-12-8

2-phenylethanol

sodium hydrogencarbonate
144-55-8

sodium hydrogencarbonate

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With acetic anhydride In dichloromethane94%
...Expand
2-acetylcyclopentanaone
1670-46-8

2-acetylcyclopentanaone

2-phenylethanol
60-12-8

2-phenylethanol

A

6-oxo-heptanoic acid phenethyl ester
960305-76-4

6-oxo-heptanoic acid phenethyl ester

B

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With copper(II) bis(trifluoromethanesulfonate) at 80℃; for 24h; Neat (no solvent); Inert atmosphere;A 94%
B 6%
indium(III) triflate at 80℃; for 24h; retro-Claisen condensation;A 86%
B 4%
...Expand
(2-(methoxymethoxy)ethyl)benzene
54673-12-0

(2-(methoxymethoxy)ethyl)benzene

acetic anhydride
108-24-7

acetic anhydride

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With 1-butyl-3-methylimidazolium tetrachloroindate at 145 - 150℃; for 0.0416667h; Microwave irradiation;94%
With 12-tungstophosphoric acid immobilized on [bmim][FeCl4] at 120 - 130℃; for 0.025h; Microwave irradiation;94%
With 1-methylimidazole hydrogen sulfate at 120℃; for 0.0416667h; Microwave irradiation; chemoselective reaction;90%
trimethyl(phenethyloxy)silane
14629-58-4

trimethyl(phenethyloxy)silane

ethyl acetate
141-78-6

ethyl acetate

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With titanium tetrachloride for 1.2h; Heating;93%
2-(2-phenylethoxy)tetrahydro-2H-pyran
1927-61-3

2-(2-phenylethoxy)tetrahydro-2H-pyran

acetic anhydride
108-24-7

acetic anhydride

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
bismuth(lll) trifluoromethanesulfonate In acetonitrile for 0.5h; Heating;93%
With iron(III) sulfate In 1,2-dichloro-ethane for 3h; Heating;82%
K5 at 20℃; for 0.25h;91 % Chromat.
2-methylpropyl acetate
110-19-0

2-methylpropyl acetate

2-phenylethanol
60-12-8

2-phenylethanol

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With caesium carbonate at 125℃; for 19h;93%
2-phenylethanol
60-12-8

2-phenylethanol

benzylidene 1,1-diacetate
581-55-5

benzylidene 1,1-diacetate

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With C. antarctica B immobilized lipase In toluene at 60℃; for 4h; Enzymatic reaction;93%
oxovanadium(IV) sulfate

oxovanadium(IV) sulfate

2-phenylethanol
60-12-8

2-phenylethanol

sodium hydrogencarbonate
144-55-8

sodium hydrogencarbonate

acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

Conditions
ConditionsYield
With acetic anhydride In acetonitrile92%
...Expand
acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

A

2-phenylethanol
60-12-8

2-phenylethanol

B

phenol
108-95-2

phenol

Conditions
ConditionsYield
With phosphate buffer; Phenyl acetate In diethyl ether for 2.75h; Ambient temperature; pig liver acetone powder;A 18%
B 100%
acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

O-deuterio-2-phenyl-ethanol
49681-79-0

O-deuterio-2-phenyl-ethanol

Conditions
ConditionsYield
With molybdenum(VI) oxychloride; d(4)-methanol at 20℃; for 27h;98%
acetic acid phenethyl ester
103-45-7

acetic acid phenethyl ester

2-phenylethanol
60-12-8

2-phenylethanol

Conditions
ConditionsYield
With water at 20℃; for 0.166667h;96%
With methanol; potassium permanganate at 25℃; chemoselective reaction;92%
With 2,2-dibutyl-1,3,2-dioxastannane; cesium fluoride In N,N-dimethyl-formamide at 20℃; for 0.5h;85%

Phenethyl acetate Chemical Properties

Molecule structure of Phenethyl acetate (CAS NO.103-45-7):

IUPAC: Phenethyl acetate
Molecular Formula: C10H12O2
Molecular Weight: 164.2 g/mol
Density: 1.034 g/cm3 
Melting Point: -31 °C
Boiling Point: 233.3 °C at 760 mmHg 
Flash Point: 101.7 °C
Water Solubility: negligible
Index of Refraction: 1.501
Molar Refractivity: 46.84 cm3
Molar Volume: 158.7 cm3
Surface Tension: 35.7 dyne/cm 
Enthalpy of Vaporization: 47 kJ/mol
Vapour Pressure: 0.0564 mmHg at 25 °C 
XLogP3: 2.3 
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Exact Mass: 164.08373
MonoIsotopic Mass: 164.08373
Topological Polar Surface Area: 26.3
Heavy Atom Count: 12 
Canonical SMILES: CC(=O)OCCC1=CC=CC=C1
InChI: InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey: MDHYEMXUFSJLGV-UHFFFAOYSA-N
EINECS: 203-113-5
Product Categories: Miscellaneous

Phenethyl acetate Uses

 Phenethyl acetate (CAS NO.103-45-7) is an important intermediate. It is also used in the preparation of rose, jasmine and hyacinth fragrance.

Phenethyl acetate Production

 Phenethyl acetate is made by the reaction of benzene ethanol and acetic anhydride in the presence of sodium acetate .

Phenethyl acetate Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

     FCTXAV    Food and Cosmetics Toxicology. 12 (1974),957.
2.    

orl-rat LD50:3670 mg/kg

     VPITAR    Voprosy Pitaniya. Problems of Nutrition. 33 (5)(1974),48.
3.    

orl-mus LD50:3670 mg/kg

     VPITAR    Voprosy Pitaniya. Problems of Nutrition. 33 (5)(1974),48.
4.    

orl-gpg LD50:3670 mg/kg

     VPITAR    Voprosy Pitaniya. Problems of Nutrition. 33 (5)(1974),48.
5.    

skn-rbt LD50:6210 mg/kg

     FCTXAV    Food and Cosmetics Toxicology. 12 (1974),807.

Phenethyl acetate Consensus Reports

Reported in EPA TSCA Inventory.

Phenethyl acetate Safety Profile

Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 1
RTECS: AJ2220000
HS Code: 29153990
Moderately toxic by ingestion. Mildly toxic by skin contact. A skin irritant. Combustible when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use alcohol foam, CO2, and dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

Phenethyl acetate Specification

 Phenethyl acetate (CAS NO.103-45-7) is also named as 2-Phenethyl acetate ; 2-Phenylethyl acetate ; 4-06-00-03073 (Beilstein Handbook Reference) ; AI3-03878 ; Acetic acid, 2-phenylethyl ester ; Acetic acid, phenethyl ester ; BRN 0638179 ; Benzylcarbinyl acetate ; Ethanol, 2-phenyl-, acetate ; FEMA No. 2857 ; NSC 71927 ; Phenethyl acetate (natural) ; Phenethyl alcohol, acetate ; UNII-67733846OW ; beta-Phenylethyl acetate . Phenethyl acetate (CAS NO.103-45-7) is clear colorless to pale yellow liquid with sweet smell. It is insoluble in water, soluble in ethanol, ether and other organic solvents.

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