Diethyl benzylidenemalonate

Basic Information

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CAS Number

5292-53-5

Molecular Formula

C14H16O4

Molecular Weight

248.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

28-31°C

Boiling Point

215-217 °C/30 mmHg

Water Solubility

Insoluble in water.

Refractive Index

n20/D 1.536(lit.)

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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CCOC(=O)C(=CC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C14H16O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3

InChIKey

VUWPIBNKJSEYIN-UHFFFAOYSA-N

LogP

2.1962

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

294

Synonyms & References

English

D88642
Diethyl 2-benzylidenemalonate #
2-benzylidene-propanedioic acid diethyl ester
SCHEMBL935186
2-(1-(2-ethylphenyl)propylidene)malonic acid
AKOS002133974
DTXSID30200975
NS00005962
.beta.,.beta.-Diethoxycarbonylstyrene
Diethyl 2-benzylidenemalonate
Propanedioic acid, 2-(phenylmethylene)-, diethyl ester
AB01334643-02
AI3-02423
MFCD00009149
NSC-1272
Diethyl benzylidenemalonate
diethyl 2-benzylidenepropanedioate
Benzalmalonic Acid Diethyl Ester
NSC1272
5292-53-5
FT-0622850
NCGC00166046-01
Propanedioic acid, (phenylmethylene)-, diethyl ester
Malonic acid, benzylidene-, diethyl ester
CHEMBL1496422
2-Benzylidene-malonic acid diethyl ester
Diethyl benzylidenemalonate, >=99.0% (GC)
EC 226-137-8
B0420
benzylidenemalonic acid, diethyl ester
Benzal-Malonic Acid Diethyl Ester

MDL Number

MFCD00009149

Customs Code

2917399090

FAQ

What regulatory guidelines apply to Diethyl benzylidenemalonate (CAS: 5292-53-5)?

Diethyl benzylidenemalonate (CAS: 5292-53-5) is subject to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for hazardous substances. It is also regulated under REACH in the European Union, which requires manufacturers and importers to register substances if they meet certain tonnage thresholds. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may have specific regulations depending on its intended use. It is crucial to consult the most current regulatory documents and guidelines for specific requirements.

Are there alternatives to Diethyl benzylidenemalonate (CAS: 5292-53-5) in synthesis?

There are several alternatives to Diethyl benzylidenemalonate (CAS: 5292-53-5) that can be used in synthesis, depending on the specific reaction and desired outcome. Common alternatives include other malonate derivatives, such as methyl benzylidenemalonate or ethyl benzylidenemalonate. Additionally, alternative reagents like benzylideneacetone or o-phenylphenylmethylideneacetone can serve as substitutes. It is important to consider the availability, cost, and reaction properties of these alternatives.

What is the market or research trend for Diethyl benzylidenemalonate (CAS: 5292-53-5)?

The market for Diethyl benzylidenemalonate (CAS: 5292-53-5) is driven by its applications in the synthesis of various organic compounds, fragrances, and pharmaceuticals. Research trends indicate an ongoing interest in developing new synthetic routes and applications for this compound. Recent studies focus on optimizing reaction conditions and exploring its use in novel drug candidates and fragrance formulations. The market is expected to grow with advancements in chemical synthesis and new product developments.

How should waste containing Diethyl benzylidenemalonate (CAS: 5292-53-5) be handled?

Waste containing Diethyl benzylidenemalonate (CAS: 5292-53-5) should be collected in appropriate containers and stored in a secure, well-ventilated area. It is important to follow local and national regulations for waste disposal. Typically, this waste should be incinerated or disposed of through a professional chemical waste disposal service. Environmental protection precautions include minimizing exposure to air, water, and soil. Always consult the safety data sheet (SDS) and local regulations for specific handling and disposal procedures.