Product Name

  • Name

    2-PHENYLETHYL PROPIONATE

  • EINECS 204-567-7
  • CAS No. 122-70-3
  • Article Data23
  • CAS DataBase
  • Density 1.016 g/cm3
  • Solubility 136mg/L at 25℃
  • Melting Point <25 °C
  • Formula C11H14O2
  • Boiling Point 251.9 °C at 760 mmHg
  • Molecular Weight 178.231
  • Flash Point 107.4 °C
  • Transport Information
  • Appearance Clear colorless liquid
  • Safety 26-36
  • Risk Codes 36/38
  • Molecular Structure Molecular Structure of 122-70-3 (2-PHENYLETHYL PROPIONATE)
  • Hazard Symbols IrritantXi
  • Synonyms NSC 404457;EcoPCO ACU;Propionicacid, phenethyl ester (6CI,7CI,8CI);2-Phenethyl propionate;2-Phenylethylpropanoate;Benzylcarbinyl propionate;Phenethyl alcohol propionate;Phenethyl propanoate;Phenethylpropionate;Phenylethyl propionate;b-Phenylethyl propionate;
  • PSA 26.30000
  • LogP 2.18230

Synthetic route

phenethyl 2-chloropropanoate

phenethyl 2-chloropropanoate

2-phenethyl propanoate
122-70-3

2-phenethyl propanoate

Conditions
ConditionsYield
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; cesium acetate; isopropyl alcohol at 100℃; Schlenk technique; Inert atmosphere;67%
With [RhCl2(p-cymene)]2; cesium acetate In isopropyl alcohol at 20 - 100℃; for 20h; Inert atmosphere;67%
Multi-step reaction with 2 steps
1: sodium iodide / acetone / 50 °C
2: [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; cesium acetate; isopropyl alcohol / 100 °C / Schlenk technique; Inert atmosphere
View Scheme
2-phenylethanol
60-12-8

2-phenylethanol

propionic acid
802294-64-0

propionic acid

2-phenethyl propanoate
122-70-3

2-phenethyl propanoate

Conditions
ConditionsYield
With pyridine; N-Bromosuccinimide; triphenylphosphine In dichloromethane; pentane for 2h; Ambient temperature;93%
With ion-exchange resin KU-2-8 In benzene at 80 - 85℃;92%
With dmap; triphenylphosphine; iodosodilactone In chloroform for 2h; Reflux;92%
propanoic acid methyl ester
554-12-1

propanoic acid methyl ester

2-phenylethanol
60-12-8

2-phenylethanol

2-phenethyl propanoate
122-70-3

2-phenethyl propanoate

Conditions
ConditionsYield
With zirconocene bis(perfluorooctanesulfonate) trihydrate*(tetrahydrofuran) In neat (no solvent) at 65℃; for 6h; Sealed tube; Green chemistry; chemoselective reaction;90%
2-phenylethanol
60-12-8

2-phenylethanol

propionic acid anhydride
123-62-6

propionic acid anhydride

2-phenethyl propanoate
122-70-3

2-phenethyl propanoate

Conditions
ConditionsYield
zinc(II) perchlorate at 20℃; for 1.25h;99%
With dmap for 0.05h; Irradiation; microwave;95%
propionic acid
802294-64-0

propionic acid

1-phenyl-2-bromoethane
103-63-9

1-phenyl-2-bromoethane

2-phenethyl propanoate
122-70-3

2-phenethyl propanoate

Conditions
ConditionsYield
With tetradecyl(trihexyl)phosphonium bistriflamide; N-ethyl-N,N-diisopropylamine at 75℃;98%
With tetradecyl(trihexyl)phosphonium bistriflimide at 75℃; for 6h;98%
2-phenylethanol
60-12-8

2-phenylethanol

propionaldehyde
123-38-6

propionaldehyde

2-phenethyl propanoate
122-70-3

2-phenethyl propanoate

Conditions
ConditionsYield
With N,N,N,N,N,N-hexamethylphosphoric triamide; bromine; sodium hydrogencarbonate In dichloromethane; water89%
diethyl (1-oxopropyl)phosphonate
1523-68-8

diethyl (1-oxopropyl)phosphonate

2-phenylethanol
60-12-8

2-phenylethanol

2-phenethyl propanoate
122-70-3

2-phenethyl propanoate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane for 0.166667h; Ambient temperature;70%
2-phenylethanol
60-12-8

2-phenylethanol

Ethyl propionate
105-37-3

Ethyl propionate

2-phenethyl propanoate
122-70-3

2-phenethyl propanoate

Conditions
ConditionsYield
Stage #1: 2-phenylethanol With bis(cyclopentadienyl)titanium dichloride; manganese; diiodomethane In tetrahydrofuran at 20℃; for 2.5h; Inert atmosphere;
Stage #2: Ethyl propionate In tetrahydrofuran at 20℃; for 1.5h; Inert atmosphere;
With recombinant acyltransferase from Mycobacterium smegmatis In aq. phosphate buffer at 25℃; for 0.5h; pH=8; Concentration; Green chemistry; Enzymatic reaction;
phenethyl 2-iodopropanoate

phenethyl 2-iodopropanoate

2-phenethyl propanoate
122-70-3

2-phenethyl propanoate

Conditions
ConditionsYield
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; cesium acetate; isopropyl alcohol at 100℃; Schlenk technique; Inert atmosphere;71%
2-phenylethanol
60-12-8

2-phenylethanol

ZnCl2

ZnCl2

2-phenethyl propanoate
122-70-3

2-phenethyl propanoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: benzene / 3 h / Ambient temperature
2: 2-propanol, di-tert-butyl hyponitrite / 5 h / 60 °C / average chain length radical chain
View Scheme
2-phenylethanol
60-12-8

2-phenylethanol

2-phenethyl propanoate
122-70-3

2-phenethyl propanoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: pyridine / dichloromethane / 0 - 20 °C
2: [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; cesium acetate; isopropyl alcohol / 100 °C / Schlenk technique; Inert atmosphere
View Scheme
Multi-step reaction with 3 steps
1: pyridine / dichloromethane / 0 - 20 °C
2: sodium iodide / acetone / 50 °C
3: [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; cesium acetate; isopropyl alcohol / 100 °C / Schlenk technique; Inert atmosphere
View Scheme
2-bromophenylethyl alcohol
1074-16-4

2-bromophenylethyl alcohol

2-phenethyl propanoate
122-70-3

2-phenethyl propanoate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; isopropyl alcohol; potassium tert-butylate / 100 °C / Schlenk technique; Inert atmosphere
2: pyridine / dichloromethane / 0 - 20 °C
3: [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; cesium acetate; isopropyl alcohol / 100 °C / Schlenk technique; Inert atmosphere
View Scheme
Multi-step reaction with 4 steps
1: [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; isopropyl alcohol; potassium tert-butylate / 100 °C / Schlenk technique; Inert atmosphere
2: pyridine / dichloromethane / 0 - 20 °C
3: sodium iodide / acetone / 50 °C
4: [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; cesium acetate; isopropyl alcohol / 100 °C / Schlenk technique; Inert atmosphere
View Scheme
benzene
71-43-2

benzene

aqueous KOH

aqueous KOH

2-phenethyl propanoate
122-70-3

2-phenethyl propanoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: anhydrous aluminum chloride / 4 h / 6 - 7 °C
1.2: 90 percent / water
2.1: 92 percent / ion-exchange resin KU-2-8 / benzene / 80 - 85 °C
View Scheme
2-Bromo-propionic acid phenethyl ester

2-Bromo-propionic acid phenethyl ester

2-phenethyl propanoate
122-70-3

2-phenethyl propanoate

Conditions
ConditionsYield
With 1,2,2,6,6-pentamethylpiperidine; trans-di-O-tert-butyl hyponitrite In acetonitrile at 60℃; for 5h;
With isopropyl alcohol; trans-di-O-tert-butyl hyponitrite at 60℃; for 5h; average chain length radical chain;
methanol
67-56-1

methanol

2-phenethyl propanoate
122-70-3

2-phenethyl propanoate

A

propanoic acid methyl ester
554-12-1

propanoic acid methyl ester

B

2-phenylethanol
60-12-8

2-phenylethanol

Conditions
ConditionsYield
[t-Bu2SnOH(Cl)]2 at 30℃; for 3.5h;A n/a
B 65 % Chromat.
...Expand

2-Phenylethyl propionate Chemical Properties

Empirical Formula: C11H14O2
Molecular Weight: 178.23
Index of Refraction: 1.499 
Flash Point: 107.4 °C 
Density: 1.007 g/mL at 25 °C(lit.)
Enthalpy of Vaporization: 48.92 kJ/mol 
Boiling Point: 251.9 °C at 760 mmHg 
Vapour Pressure: 0.0199 mmHg at 25°C 
IUPAC Name: Phenethyl propanoate
Appearance: Colourless or yellowish slighty oily liquid; very sweet odour reminiscent of red rose with a fruity undertone
Synonyms: FEMA 2867 ; FEMA 3867 ; Beta phenyl ethyl propionate ; B-phenylethyl propionate ; 2-Phenylethyl propionate ; Phenethyl propionate ; Phenyl ethyl propionate ; 2-Phenethyl propionate
Following is the molecular structure of Phenethyl propionate (122-70-3):

2-Phenylethyl propionate Uses

Phenethyl propionate (122-70-3) is used as Flavor.

2-Phenylethyl propionate Production

Benzene, ethanol and propionic acid in the presence of concentrated sulfuric acid formed Phenethyl propionate (122-70-3) by direct esterification.
 

2-Phenylethyl propionate Toxicity Data With Reference

1.    

orl-rat LD50:4000 mg/kg

     FCTXAV    Food and Cosmetics Toxicology. 12 (1974),807.
2.    

skn-rbt LD50:>5 g/kg

     FCTXAV    Food and Cosmetics Toxicology. 12 (1974),963.

2-Phenylethyl propionate Consensus Reports

Reported in EPA TSCA Inventory.

2-Phenylethyl propionate Safety Profile

Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of Phenethyl propionate (122-70-3):
Hazard Codes: Xi
Xi: Irritant
Risk Statements 36/38
36/38: Irritating to eyes and skin 
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 36: Wear suitable protective clothing 
WGK Germany: 2
RTECS: AJ3255000
 

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