| Identification | Back Directory | [Name]
FEMA 2860 | [CAS]
94-47-3 | [Synonyms]
FEMA 2860
Phenethylbenzoat
PHENYLETHYLBENZOAT
PHENETHYL BENZOATE
PHENYLETHYL BENZOATE
2-Phenethyl benzoate
2-phenylethylbenzoate
2-Phenylethyl benzoate
benzylcarbinylbenzoate
B-PHENYLETHYL BENZOATE
Benzoic acid phenethyl
beta-Phenethyl benzoate
Benzylcarbinyl benzoate
PHENETHYL BENZOATE 99+%
PHENETHYL BENZOATE, 98+%
phenethylalcohol,benzoate
BETA PHENYL ETHYL BENZOATE
Phenethyl alcohol, benzoate
BENZOIC ACID PHENETHYL ESTER
Benzoicacid,2-phenylethylester
2-fenylethylesterkyselinybenzoove
2-Fenylethylester kyseliny benzoove | [EINECS(EC#)]
202-336-5 | [Molecular Formula]
C15H14O2 | [MDL Number]
29163100 | [MOL File]
94-47-3.mol | [Molecular Weight]
226.27 |
| Chemical Properties | Back Directory | [Appearance]
Clear colorless liquid | [Boiling point ]
182 °C12 mm Hg(lit.)
| [density ]
1.093 g/mL at 25 °C(lit.)
| [vapor pressure ]
0.015Pa at 25℃ | [FEMA ]
2860 | PHENETHYL BENZOATE | [refractive index ]
n20/D 1.56(lit.)
| [Fp ]
>230 °F
| [solubility ]
Insoluble in water, soluble in alcohol and oils. | [form ]
Liquid | [color ]
Clear colorless | [Odor]
at 100.00 %. soft rose balsam honey floral | [biological source]
synthetic | [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) |
| Hazard Information | Back Directory | [Chemical Properties]
Clear colorless liquid | [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. | [Application]
Phenylethyl Benzoate is used in Carnation, Neroli, Rose and Oriental bases mostly as a fixative and a blender/modifier in the heavier portion of the fragrance. It is a good base for Peony and other delicate florals and blends well with most of the conventional “middle notes”. This material is also used in flavour compositions in minute traces for fixation of Honey, Strawberry and various fruit types. The concentration is normally as low as 1 to 4 ppm in the finished product.
| [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). |
| Safety Data | Back Directory | [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). |
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