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Phenethyl acetate

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Phenethyl acetate Basic information

Product Name:
Phenethyl acetate
CAS:
103-45-7
MF:
C10H12O2
MW:
164.2
EINECS:
203-113-5
Mol File:
103-45-7.mol
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Phenethyl acetate Chemical Properties

Melting point:
-31 °C
Boiling point:
238-239 °C(lit.)
Density 
1.032 g/mL at 25 °C(lit.)
vapor density 
5.67 (vs air)
refractive index 
n20/D 1.498(lit.)
FEMA 
2857 | PHENETHYL ACETATE
Flash point:
215 °F
storage temp. 
Store below +30°C.
form 
neat
Water Solubility 
NEGLIGIBLE
JECFA Number
989
BRN 
638179
InChIKey
MDHYEMXUFSJLGV-UHFFFAOYSA-N
CAS DataBase Reference
103-45-7(CAS DataBase Reference)
NIST Chemistry Reference
Acetic acid, 2-phenylethyl ester(103-45-7)
EPA Substance Registry System
2-Phenylethyl acetate (103-45-7)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
24/25-36-26
WGK Germany 
1
RTECS 
AJ2220000
TSCA 
Yes
HS Code 
29153990
Toxicity
The acute oral LD50 in rats was reported as > 5 g/kg (Moreno, 1973) and the acute dermal LD50 in rabbits as 6.21 g/kg (3.89-9.90 g/kg) (Fogleman, 1970).

MSDS

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Phenethyl acetate Usage And Synthesis

Chemical Properties

Phenethyl acetate occurs in a number of essential oils and is a volatile aroma component of many fruits and alcoholic beverages. Phenylethyl acetate is a colorless liquid with a fine rose scent and a secondary, sweet, honey note. It is used in perfumery as a modifier of phenylethyl alcohol, for example, in rose and lilac compositions. In addition, it is used in a large number of aromas, in keeping with its natural occurrence.

Chemical Properties

Phenethyl acetate has a floral odor reminiscent of rose with a honey-like undertone and a sweet, fruit-like taste reminiscent of raspberry.

Chemical Properties

CLEAR COLORLESS TO PALE YELLOW LIQUID

Occurrence

Reported found in apple, banana, currants, guava, grapes, pineapple, tomato, strawberry, melon, cinnamon, cassia leaf, clove bud, peppermint oil, vinegar, breads, cheeses, butter, beer, cognac, whiskies, cider, sherry, grape vines, tea, Arctic bramble, olive, passion fruit, plum, mushroom, starfruit, Bantu beer, mango, fermented radish, litchi, wort, Bourbon vanilla, brandy, naranjilla fruit, lamb’s lettuce and eucalyptus oil.

Definition

ChEBI: The acetate ester of 2-phenylethanol.

Preparation

By acetylation of phenylethyl alcohol.

Aroma threshold values

Detection: 3 to 5 ppm

Taste threshold values

Taste characteristics at 50 ppm: fruity, sweet, honey, floral, tropical, rosy with a slight yeasty, honey note with a cocoa and balsamic nuance.

Synthesis Reference(s)

Journal of the American Chemical Society, 96, p. 8113, 1974 DOI: 10.1021/ja00833a047
Tetrahedron Letters, 31, p. 2273, 1990 DOI: 10.1016/0040-4039(90)80204-Y

Safety Profile

Moderately toxic by ingestion. Mddly toxic by skin contact. A skin irritant. Combustible when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use alcohol foam, CO2, and dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS

Phenethyl acetate Preparation Products And Raw materials

Raw materials

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Phenethyl acetateSupplierMore

Tianjin Zhongxin Chemtech Co., Ltd.
Tel:
022-66880623
Email:
sales@tjzxchem.com;sales@tjzxchem.com
J & K SCIENTIFIC LTD.
Tel:
400-666-7788 010-82848833-
Email:
jkinfo@jkchemical.com;market6@jkchemical.com
Alfa Aesar
Tel:
400-610-6006
Email:
saleschina@alfa-asia.com
TCI (Shanghai) Development Co., Ltd.
Tel:
021-67121386 / 800-988-0390
Email:
Sales-CN@TCIchemicals.com
Energy Chemical
Tel:
400-005-6266 021-58432009-
Email:
sales8178@energy-chemical.com
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