Diethyl phenylmalonate

Basic Information

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CAS Number

83-13-6

Molecular Formula

C13H16O4

Molecular Weight

236.26 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

16 °C

Boiling Point

285°C

Density

1.095 g/mL at 25 °C

Refractive Index

n20/D 1.491(lit.)

SMILES

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

InChI

InChI=1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3

InChIKey

FGYDHYCFHBSNPE-UHFFFAOYSA-N

LogP

1.8964

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

238

Synonyms & References

English

NSC-53560
EINECS 201-456-5
diethylphenylmalonat-
Diethyl phenylmalonate
Diethyl phenylmalonate, 98%
Malonic acid, phenyl-, diethyl ester
SR-01000196305-1
diethyl-phenylmalonate
AS-14253
PhCH(CO2Et)2
diethyl 2-phenylpropanedioate
Propanedioic acid, phenyl-, diethyl ester
NSC 53560
2-Phenyl-malonic acid diethyl ester
Diethyl 2-phenylmalonate #
SR-01000196305
NSC8126
1,3-diethyl 2-phenylpropanedioate
Q-200976
W18251
AKOS003671792
Diethyl 2-phenylmalonate
DIETHYLPHENYLMALONATE
Phenylmalonic acid diethyl ester
2-phenyl-propanedioic acid diethyl ester
CS-0036888
F0001-2125
CBMicro_047868
InChI=1/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H
MFCD00009144
NSC53560

MDL Number

MFCD00009144

Customs Code

2942000000

FAQ

What is Diethyl phenylmalonate (CAS: 83-13-6)?

Diethyl phenylmalonate is an organic compound with the chemical formula C12H14O4. It is a white crystalline solid that is soluble in organic solvents. This compound is known for its stability and is often used as an intermediate in chemical synthesis due to its ability to undergo various reactions such as hydrolysis and decarboxylation.

What are the main uses of Diethyl phenylmalonate (CAS: 83-13-6)?

Diethyl phenylmalonate is primarily used in pharmaceutical research as a building block for synthesizing drugs. It also finds applications in industrial chemistry for the production of various organic compounds. Additionally, it is used in research settings for its utility in organic reactions and as a reagent in the synthesis of other chemicals.

Is Diethyl phenylmalonate (CAS: 83-13-6) safe?

Diethyl phenylmalonate is generally considered safe when handled properly. It has low toxicity, but precautions should be taken when working with it, such as wearing gloves and goggles. It is not classified as a hazardous substance under standard safety regulations, but it should be stored away from heat and incompatible materials to ensure safety.

How should Diethyl phenylmalonate (CAS: 83-13-6) be stored?

Diethyl phenylmalonate should be stored in a cool, dry place, away from direct sunlight and sources of heat. It is typically kept in airtight containers to prevent moisture absorption. Proper storage conditions help maintain its chemical stability and prevent unwanted reactions or degradation.