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Ethyl 3-phenylpropanoate

Ethyl 3-phenylpropanoate structure

CAS No:
2021-28-5
Formula:
C11H14O2
Chemical Name:
Ethyl 3-phenylpropanoate
Synonyms:
Benzenepropanoic acid,ethyl ester;Hydrocinnamic acid,ethyl ester;Ethyl hydrocinnamate;Ethyl 3-phenylpropionate;Ethyl dihydrocinnamate;Ethyl 3-phenylpropanoate;3-Phenylpropanoic acid ethyl ester;Ethyl benzenepropanoate;3-Phenylpropionic acid ethyl ester;NSC 126040
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

clear colorless to light yellow liquid Ethyl 3-phenylpropionate has an ethereal, rum, fruity, floral odor.

Ethyl 3-Phenylpropionate is also used in the synthesis pyrimidine based inhibitors of cyclin-dependant kinases. It is also used to preparation of inhibitor BB-3497.

Colourless, somewhat oily liquid, sweet, fruity, honey-like odour

Ethyl 3-phenylpropanoate is a fatty acid ester.

Ethyl 3-phenylpropanoate Basic Attributes

Molecular Weight：

178.23

Exact Mass：

178.23

BRN：

1910432

EC Number：

217-966-6

UNII：

58E9Z9V64D

NSC Number：

126040

DSSTox ID：

DTXSID9047095

HScode：

29163900

Characteristics

PSA：

26.30000

XLogP3：

2.79

Appearance：

Colourless, somewhat oily liquid, sweet, fruity, honey-like odour

Density：

1.1

Melting Point：

122-124 °C

Boiling Point：

247.2 °C

Flash Point：

226 °F

Refractive Index：

1.494-1.496

Water Solubility：

H2O: <0.1 g/100 mL at 25 ºC

Storage Conditions：

2-8°C

Vapor Pressure：

0.028mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

23-24/25

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：

Not Classified

Drug Information

MeSH Entry Terms：

benzenepropanoic acid, ethyl ester

Ethyl 3-phenylpropanoate Use and Manufacturing

Methods of Manufacturing

It is formed by hydrogenation of ethyl cinnamate in ethanol solution and nickel catalyst.

Uses

Used in pharmaceutical intermediates and organic synthesis.

Manufacturing Info：

Benzenepropanoic acid, ethyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:178.23
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:148
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

107978-04-1

18523-34-7

21165-34-4

Recommended Suppliers of Ethyl 3-phenylpropanoate

QUANHUI BIO Contact Supplier

CN
1 YR

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Ethyl 3-phenylpropionate

Unit Price: $100 /KG EXW

CAS No.: 2021-28-5

Grade: Pharmaceutical Grade

Content: 99%

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

Ethyl 3-phenylpropionate

CAS No.: 2021-28-5

Content: 99.00%

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Shandong Airuike Chemical Co., Ltd. Contact Supplier

CN
3 YRS

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Trader Supplier of api,Intermediates,Organic Chemistry,Inorganic Chemistry,Daily Chemicals,Cosmetic Raw Materals,CATALYST AND AUXILIARY,FLAVORS AND FRAGRANCES,Chemical Pesticides,ADDITIVE

3-Ethyl phenylpropionate cas 2021-28-5

CAS No.: 2021-28-5

Grade: Analytical Reagent

Content: 99%

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Guide of Ethyl 3-phenylpropanoate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Synthesis Route
Recommended Suppliers
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Ethyl 3-phenylpropanoate

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