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Ethyl benzoylacetate

Ethyl benzoylacetate structure

CAS No:
94-02-0
Formula:
C11H12O3
Chemical Name:
Ethyl benzoylacetate
Synonyms:
Benzenepropanoic acid,β-oxo-,ethyl ester;Acetic acid,benzoyl-,ethyl ester;Benzoylacetic acid ethyl ester;Ethyl benzoylacetate;Ethyl β-oxobenzenepropanoate;1-Ethoxy-3-phenylpropane-1,3-dione;Ethyl 3-oxo-3-phenylpropanoate;Ethyl 3-oxo-3-phenylpropionate;β-Oxobenzenepropanoic acid ethyl ester;3-Oxo-3-phenylpropionic acid ethyl ester;NSC 227214;NSC 6774;3-Oxo-3-phenylpropanoic acid ethyl ester;Ethyl 2-benzoylacetate;Ethyl 3-phenyl-3-oxopropanoate;3-Phenyl-3-oxopropanoic acid ethyl ester
Categories:
Cosmetic Ingredient > Perfuming

Description

Brownish liquid Ethyl benzoylacetate has a brandy-like odor and sweet, woody, cherry, phenolic-like flavor.

Ethyl Benzoylacetate is used in the preparation of pyrimidine-benzimidazol hybrids which has anticancer activities on four human cancer cell lines (MCF-7, MGC-803, EC-9706 and SMMC-7721).

Liquid|colourless to light yellow liquid with a brandy-like, woody, cherry, phenolic odour

Ethyl 3-oxo-3-phenylpropanoate is an aromatic ketone.

Ethyl benzoylacetate Basic Attributes

Molecular Weight：

192.21

Exact Mass：

192.21

BRN：

389944

EC Number：

202-295-3

UNII：

K8CHJ4MKM0

NSC Number：

227214|6774

DSSTox ID：

DTXSID4047094

HScode：

29183000

Characteristics

PSA：

43.4

XLogP3：

1.9

Appearance：

Brown Powder

Density：

0.9678 g/cm³ @ Temp: 15 °C

Melting Point：

<0 °C

Boiling Point：

167 °C

Flash Point：

147 °F

Refractive Index：

1.509

Water Solubility：

H2O: INsoluble ;alcohol: miscible

Storage Conditions：

Store below +30°C.

Vapor Pressure：

1 hPa (108 °C)

Vapor Density：

6.6 (vs air)

Toxicity：

LD50 orally in Rabbit: > 5000 mg/kg

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

RTECS Number：

AF4878000

Stability/Shelf Life：

Substance may undergo color change upon exposure to light and air. Volatile in steam.

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

Ethyl benzoylacetate Use and Manufacturing

Methods of Manufacturing

It is obtained by polycondensation of ethyl benzoate and ethyl acetate with sodium ethoxide.

Uses

Ethyl benzoylacetate (Best) is used as an intermediate for different organic synthesis Product Data Sheet

Manufacturing Info：

Benzenepropanoic acid, .beta.-oxo-, ethyl ester: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:192.21
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:192.078644241
Monoisotopic Mass:192.078644241
Topological Polar Surface Area:43.4
Heavy Atom Count:14
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

201230-82-2

35227-78-2

Material

Benzonitrile

Benzaldehyde

Diethyl carbonate

Ammonium chloride

Sodium hydroxide

Ethyl acetate

Acetic acid

Benzene

PETROLEUM ETHER

Ethyl benzoate

Benzoyl chloride

Downstream Products

3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)

Recommended Suppliers of Ethyl benzoylacetate

Shandong Airuike Chemical Co., Ltd. Contact Supplier

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CAS No.: 94-02-0

Grade: Pharmaceutical Grade

Content: 99%

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5 YRS

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Ethyl benzoylacetate

CAS No.: 94-02-0

Content: 99.00%

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Honour Enterprise Company Limited Contact Supplier

CN
4 YRS

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More than 15 years GMP Factory Suppy 99.5% Ethyl benzoylacetate Medical Grade CAS94-02-0

CAS No.: 94-02-0

Grade: Pharmaceutical Grade

Content: 99.5%

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Guide of Ethyl benzoylacetate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Synthesis Route
Material
Downstream Products
Recommended Suppliers
Learn More Other Chemicals

Ethyl benzoylacetate

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