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Basic information

  • Name:

  • Phenethyl acetate

  • CAS No.:

  • 103-45-7

  • Formula:
  • C10H12O2
  • 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;

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Chemistry

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

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.

Production

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

Consensus Reports

Reported in EPA TSCA Inventory.

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.

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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