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Ethyl 4-phenylbutanoate

Ethyl 4-phenylbutanoate structure

CAS No:
10031-93-3
Formula:
C12H16O2
Chemical Name:
Ethyl 4-phenylbutanoate
Synonyms:
Benzenebutanoic acid,ethyl ester;Butyric acid,4-phenyl-,ethyl ester;Ethyl 4-phenylbutyrate;Ethyl 4-phenylbutanoate;NSC 163318
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Ethyl 4-phenylbutyrate has a sweet, fruity, plum-like odor and cooked plum–prune taste.

Colourless slightly oily liquid; Fruity, floral aroma

Ethyl 4-phenylbutanoate is a fatty acid ester.

Ethyl 4-phenylbutanoate Basic Attributes

Molecular Weight：

192.25

Exact Mass：

192.25

EC Number：

600-062-4

UNII：

BU9R7P5U55

NSC Number：

163318

DSSTox ID：

DTXSID90143132

HScode：

2916399090

Characteristics

PSA：

26.3

XLogP3：

3.1

Density：

1.001 g/cm³ @ Temp: 20 °C

Boiling Point：

130-131 °C @ Press: 10 Torr

Flash Point：

114.4ºC

Refractive Index：

1.4910 to 1.4950

Water Solubility：

44.15 mg/L @ 25 °C (est)|Soluble in oils; Insoluble in water|Soluble (in ethanol)

Vapor Pressure：

0.00476mmHg at 25°C

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Ethyl 4-phenylbutanoate Use and Manufacturing

Methods of Manufacturing

It is formed by esterification of ethanol and γ-phenylbutyric acid (which can be produced by γ-bromopropylbenzene by Green reaction).

Uses

GB 2760-1996 stipulates that it is temporarily allowed to use food spices.

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:192.25
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethanol

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Guide of Ethyl 4-phenylbutanoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Learn More Other Chemicals

Ethyl 4-phenylbutanoate

SDS

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