Diethyl ethyl(phenyl)malonate

Basic Information

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CAS Number

76-67-5

Molecular Formula

C15H20O4

Molecular Weight

264.32 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

-7°C

Boiling Point

171°C/19mmHg

Density

1.07 g/mL at 25 °C

Refractive Index

n20/D 1.491(lit.)

SMILES

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CCC(C1=CC=CC=C1)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C15H20O4/c1-4-15(13(16)18-5-2,14(17)19-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3

InChIKey

PKRVDBARWFJWEB-UHFFFAOYSA-N

LogP

2.4606000000000003

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

287

Synonyms & References

English

SY036838
A50569
Ethylphenylmalonic acid diethyl ester
Diethyl 2-ethyl-2-phenylmalonate, 96%
Propanedioic acid, 2-ethyl-2-phenyl-, 1,3-diethyl ester
CS-0128430
PKRVDBARWFJWEB-UHFFFAOYSA-N
FT-0624784
diethyl ethyl-phenylmalonate
A838793
AS-14709
UNII-1IH5RQ922Z
Diethyl Ethylphenylpropanedioate
MFCD00040759
Malonic acid, ethylphenyl-, diethyl ester
diethylethyl(phenyl)malonat
76-67-5
(major intermediate for phenobarbital and primidone)
NSC 5631
W-104350
Diethyl 2-ethyl-2-phenylmalonate
EINECS 200-978-0
Ethyl(phenyl)malonic Acid Diethyl Ester
AKOS015838508
D3375
2-Ethyl-2-phenylmalonic acid diethyl ester
Propanedioic acid, ethylphenyl-, diethyl ester
NSC5631
Diethyl ethyl(phenyl)malonate
SCHEMBL5474434
AC-19987

MDL Number

MFCD00040759

Customs Code

2942000000

FAQ

What is Diethyl ethyl(phenyl)malonate (CAS: 76-67-5)?

Diethyl ethyl(phenyl)malonate is an organic compound with the chemical formula C15H18O4. It is a white crystalline solid that is soluble in organic solvents. This compound is commonly used as an intermediate in organic synthesis due to its versatile functional groups and reactivity.

What are the main uses of Diethyl ethyl(phenyl)malonate (CAS: 76-67-5)?

Diethyl ethyl(phenyl)malonate is primarily used in pharmaceutical research as a building block for the synthesis of various drugs. It also finds applications in the production of specialty chemicals and as a precursor in the development of agrochemicals. Its use in organic chemistry is supported by its stability and reactivity in different reaction conditions.

Is Diethyl ethyl(phenyl)malonate (CAS: 76-67-5) safe?

Diethyl ethyl(phenyl)malonate is generally considered safe when handled properly. However, it should be treated with caution as it may cause irritation to the skin, eyes, and respiratory system. Protective equipment such as gloves, goggles, and a lab coat is recommended. It is important to follow standard safety protocols and storage requirements to minimize risks.

How should Diethyl ethyl(phenyl)malonate (CAS: 76-67-5) be stored?

Diethyl ethyl(phenyl)malonate should be stored in a cool, dry, and well-ventilated place away from direct light. It is best kept in a sealed container made of glass or metal to prevent moisture absorption. Storage at temperatures below 25°C is recommended to maintain stability and prolong shelf life.