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| CAS No.: | 94-47-3 |
|---|---|
| Name: | FEMA 2860 |
| Article Data: | 98 |
| Molecular Structure: | |
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| Formula: | C15H14 O2 |
| Molecular Weight: | 226.275 |
| 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 |
| Density: | 1.106g/cm3 |
| Boiling Point: | 353.9°Cat760mmHg |
| Flash Point: | 160.7°C |
| Solubility: | 207.21mg/L at 25℃ |
| 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. |
| PSA: | 26.30000 |
| LogP: | 3.08610 |
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Chemistry
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
Toxicity Data With Reference
| 1. | orl-rat LD50:5000 mg/kg | FCTXAV Food and Cosmetics Toxicology. 13 (1975),681. |
Consensus Reports
Reported in EPA TSCA Inventory.
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.
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 .