Product Name

  • Name

    FEMA 2860

  • EINECS
  • CAS No. 94-47-3
  • Article Data98
  • CAS DataBase
  • Density 1.106g/cm3
  • Solubility 207.21mg/L at 25℃
  • Melting Point
  • Formula C15H14 O2
  • Boiling Point 353.9°Cat760mmHg
  • Molecular Weight 226.275
  • Flash Point 160.7°C
  • Transport Information
  • Appearance
  • Safety Mildly toxic by ingestion route. Combustible when exposed to flame. When heated to decomposition it emits acrid smoke and irritating fumes. An insecticide. See also BENZOIC ACID.
  • Risk Codes
  • Molecular Structure Molecular Structure of 94-47-3 (FEMA 2860)
  • Hazard Symbols
  • Synonyms Benzoicacid, phenethyl ester (7CI,8CI); Phenethyl alcohol, benzoate (6CI);2-Phenylethyl benzoate; Benzylcarbinyl benzoate; Finsolv SUN; NSC 24096;Phenethyl benzoate; Phenylethyl benzoate; X-Tend 226; b-Phenethyl benzoate; b-Phenylethyl benzoate
  • PSA 26.30000
  • LogP 3.08610

Phenethyl benzoate Chemical Properties

Molecular Structure of Phenethyl benzoate (94-47-3):

EINECS: 202-336-5
IUPAC Name: Phenethyl benzoate 
Molecular Formula: C15H14O2
Molecular Weight: 226.270460 g/mol
XLogP3: 4
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2
InChI: InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey: OSORMYZMWHVFOZ-UHFFFAOYSA-N
Index of Refraction: 1.57
Molar Refractivity: 67.14 cm3
Molar Volume: 204.5 cm3
Surface Tension: 43 dyne/cm
Density: 1.106 g/cm3
Flash Point: 160.7 °C
Enthalpy of Vaporization: 59.88 kJ/mol
Boiling Point: 353.9 °C at 760 mmHg
Vapour Pressure: 3.48E-05 mmHg at 25 °C
Water Solubility: 11.99 mg/L at 25 °C
Refractive Index: n20/D 1.56(lit.)
BRN: 2052132

Phenethyl benzoate Toxicity Data With Reference

1.    

orl-rat LD50:5000 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 13 (1975),681.

Phenethyl benzoate Consensus Reports

Reported in EPA TSCA Inventory.

Phenethyl benzoate Safety Profile

Safety Information of Phenethyl benzoate (94-47-3):
WGK Germany: 2
RTECS: DH6288000
Mildly toxic by ingestion route. Combustible when exposed to flame. When heated to decomposition it emits acrid smoke and irritating fumes. An insecticide. See also BENZOIC ACID.

Phenethyl benzoate Specification

  Phenethyl benzoate (94-47-3) is clear colorless liquid, known as 2-Fenylethylester kyseliny benzoove ; 2-Fenylethylester kyseliny benzoove [Czech] ; 2-Phenylethyl benzoate ; 4-09-00-00308 (Beilstein Handbook Reference) ; AI3-01813 ; Benzoic acid, 2-phenylethyl ester ; Benzoic acid, phenethyl ester ; Benzyl carbinyl benzoate ; Benzylcarbinyl benzoate ; FEMA No. 2860 ; NSC 24096 ; Phenethyl alcohol, benzoate ; Phenethyl benzoate ; Phenethylbenzoate ; Benzoic acid, phenethyl ester .

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