FEMA 2860 Property

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

Flash point:

>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

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)

Safety

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).

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P273Avoid release to the environment.

P391Collect spillage. Hazardous to the aquatic environment

P501Dispose of contents/container to..…

FEMA 2860 Chemical Properties,Usage,Production

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.

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.

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

Not classified

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).