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| | FEMA 2860 Basic information |
| Product Name: | FEMA 2860 | | Synonyms: | PHENYLETHYL BENZOATE;PHENETHYL BENZOATE;2-Fenylethylester kyseliny benzoove;2-fenylethylesterkyselinybenzoove;2-Phenylethyl benzoate;2-phenylethylbenzoate;Benzoicacid,2-phenylethylester;Benzylcarbinyl benzoate | | CAS: | 94-47-3 | | MF: | C15H14O2 | | MW: | 226.27 | | EINECS: | 202-336-5 | | Product Categories: | Alphabetical Listings;Flavors and Fragrances;O-P | | Mol File: | 94-47-3.mol |  |
| | FEMA 2860 Chemical Properties |
| Boiling point | 182 °C12 mm Hg(lit.) | | density | 1.093 g/mL at 25 °C(lit.) | | vapor pressure | 0.015Pa at 25℃ | | refractive index | n20/D 1.56(lit.) | | FEMA | 2860 | PHENETHYL BENZOATE | | Fp | >230 °F | | form | Liquid | | color | Clear colorless | | Odor | at 100.00 %. soft rose balsam honey floral | | Odor Type | floral | | Water Solubility | 207.21mg/L at 25℃ | | LogP | 3.815 at 25℃ | | CAS DataBase Reference | 94-47-3 | | EPA Substance Registry System | Benzoic acid, 2-phenylethyl ester (94-47-3) |
| WGK Germany | 2 | | RTECS | DH6288000 | | HS Code | 29163100 | | toxicity | The acute oral LD50 in rats was reported to be 5 g/kg and the acute dermal LD50 in rabbits exceeded 5 g/kg (Wohl 1974). |
| | FEMA 2860 Usage And Synthesis |
| Chemical Properties | Clear colorless liquid | | Chemical Properties | Phenethyl benzoate has a sweet, rose and honey-like odor. It is used in trace quantities for fixation of honey, strawberry
and other fruit preserves. | | Occurrence | Reported found in the essential oil from flowers of rose and orange, in bilberry, cinnamon leaf, cassia leaf,
malay apple and sea buckthorn. | | Uses | Phenethyl Benzoate is a building block used in the synthetic preparation of esters using Bi(OTf)3 catalyzed acylation of alcohols with acid anhydrides. | | Definition | ChEBI: Phenethyl benzoate is a benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of 2-phenylethanol. It has a role as a plant metabolite and a volatile oil component. It is functionally related to a benzoic acid and a 2-phenylethanol. | | Preparation | From phenethyl alcohol and benzoyl chloride in the presence of NaOH; from phenylethyl alcohol and methylbenzoate; by
esterification of phenylethyl acohol with benzoic acid. | | Flammability and Explosibility | Notclassified | | Metabolism | The metabolism of benzoic acid has been extensively studied in more than 20 species, including man (Williams, 1959). Depending on species and other factors, such as availability of glycine, benzoic acid may be excreted in the urine as hippuric acid, benzoyl glucuronide or other compounds (see, for example, Bridges. French. Smith & Williams, 1970; Irjala, 1972; Kato, 1972; Martin, 1966; Runyan, 1971; Strahl & Barr, 1971; Wan & Riegelman, 1972). The major route of biotransformation of benzoic acid in man is conjugation with glycine to form hippuric acid, the rate-limiting factor in this reaction being the availability of glycine (Amsel & Levy. 1969). In man at a dose of 1 mg/kg, benzoic acid is excreted entirely as hippuric acid (Bridges et al. 1970). Phenylethyl alcohol is oxidized almost entirely to phenylacetic acid (Williams, 1959). In rabbits, a small amount of benzoic acid is also formed; the phenylacetic acid is excreted mainly as phenaceturic acid (Smith, Smithies & Williams, 1954). |
| | FEMA 2860 Preparation Products And Raw materials |
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