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2-Phenylethyl acetate

2-Phenylethyl acetate structure

CAS No:
103-45-7
Formula:
C10H12O2
Chemical Name:
2-Phenylethyl acetate
Synonyms:
Acetic acid,2-phenylethyl ester;Acetic acid,phenethyl ester;Phenethyl alcohol,acetate;Benzylcarbinyl acetate;Phenethyl acetate;β-Phenylethyl acetate;β-Phenethyl acetate;2-Phenylethyl acetate;2-Phenethyl acetate;Phenylethyl ethanoate;β-Phenylethanol acetate;NSC 71927;2-Phenylethanol acetate;Benzeneethanol acetate
Categories:
Cosmetic Ingredient > Fragrance Ingredient

Description

Liquid

Liquid|Colourless liquid; very sweet, rosy-fruity honey-like odour

Phenethyl acetate is the acetate ester of 2-phenylethanol. It has a role as a metabolite and a Saccharomyces cerevisiae metabolite. It derives from a 2-phenylethanol.

2-Phenylethyl acetate Basic Attributes

Molecular Weight：

164.2

Exact Mass：

164.20

BRN：

638179

EC Number：

203-113-5

UNII：

67733846OW

NSC Number：

71927

DSSTox ID：

DTXSID7044506

HScode：

29153990

Characteristics

PSA：

26.3

XLogP3：

2.3

Appearance：

Liquid

Density：

1.0765 g/cm³ @ Temp: 20 °C

Melting Point：

-31.1 °C

Boiling Point：

232.6 °C

Flash Point：

215 °F

Refractive Index：

1.502

Water Solubility：

H2O: negligible soluble

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.03 mmHg

Vapor Density：

5.67 (vs air)

Safety Information

Packing level：

Ⅲ

Transport codes：

2810

wgk germany：

hazard class code：

36/37/38

safety instructions：

24/25-36-26

RTECS Number：

AJ2220000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P280, P305+P351+P338, P310, P33, P313

Hazard Statements：

H318

GHS Classification：

|Danger|H318 (78.79%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, P310, and P337+P313|Aggregated GHS information provided by 1825 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Mobility：

77.62 L/kg

Drug Information

MeSH Entry Terms：

2-phenethyl acetate

2-Phenylethyl acetate Use and Manufacturing

Methods of Manufacturing

In the presence of sodium acetate, it is derived from the reaction of phenethyl alcohol and acetic anhydride.

Uses

The product has a peach aroma, and natural products are found in apples, grapes, berries, tea, tianjiu, beer, whiskey, brandy, etc. It is mainly used as a spice ingredient. It is an indispensable ingredient in rose-type blended spices. In terms of food ingredients, it is mainly used as a spice for honey, cream, and toffee. In addition, it is also used as a fruit essence such as apricot and strawberry.

Odor agents

Air care products

Manufacturing Info：

All other chemical product and preparation manufacturing|Acetic acid, 2-phenylethyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Cosmetics -> Deodorant

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:164.20
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Vinyl acetate

Sodium bicarbonate

Sodium acetate trihydrate

Ammonium acetate

Methanol

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Guide of 2-Phenylethyl acetate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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2-Phenylethyl acetate

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