Diethyl phenylmalonate, 98%, Thermo Scientific Chemicals

Product Code	Brand	Quantity	Packaging
10193430	Thermo Scientific Acros 150260050	5 mL	Glass bottle
10001620	Thermo Scientific Acros 150261000	100 mL	Glass bottle
10376980	Thermo Scientific Acros 150262500	250 mL	Glass bottle
10418300	Thermo Scientific Acros 150260010	1 L	Glass bottle
10751925	Thermo Scientific Acros 150260025	2.5 L	Glass bottle

Description

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Chemical Identifiers

• CAS: 83-13-6
• InChI Key: FGYDHYCFHBSNPE-UHFFFAOYSA-N
• PubChem CID: 66514
• SMILES: CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC

• MDL Number: MFCD00009144
• Synonym: diethyl phenylmalonate, diethyl 2-phenylmalonate, phenylmalonic acid diethyl ester, propanedioic acid, phenyl-, diethyl ester, diethylphenylmalonate, 1,3-diethyl 2-phenylpropanedioate, malonic acid, phenyl-, diethyl ester, propanedioic acid, 2-phenyl-, 1,3-diethyl ester, diethyl 2-phenylpropane-1,3-dioate, diethyl-phenylmalonate
• IUPAC Name: diethyl 2-phenylpropanedioate

Specifications

• CAS: 83-13-6
• Color: Colorless to Yellow
• Boiling Point: 170.0°C to 172.0°C (14.0 mmHg)
• Infrared Spectrum: Authentic
• Molecular Formula: C₁₃H₁₆O₄
• Refractive Index: 1.4903 to 1.4923
• Beilstein: 09, 854
• Synonym: diethyl phenylmalonate, diethyl 2-phenylmalonate, phenylmalonic acid diethyl ester, propanedioic acid, phenyl-, diethyl ester, diethylphenylmalonate, 1,3-diethyl 2-phenylpropanedioate, malonic acid, phenyl-, diethyl ester, propanedioic acid, 2-phenyl-, 1,3-diethyl ester, diethyl 2-phenylpropane-1,3-dioate, diethyl-phenylmalonate
• InChI Key: FGYDHYCFHBSNPE-UHFFFAOYSA-N
• IUPAC Name: diethyl 2-phenylpropanedioate
• PubChem CID: 66514
• Percent Purity: 98%
• Chemical Name or Material: Diethyl phenylmalonate

• Melting Point: 16.0°C to 17.0°C
• Density: 1.0900g/mL
• Flash Point: >112°C
• Assay Percent Range: 97.5% min. (GC)
• Linear Formula: C₂H₅O₂CCH(C₆H₅)CO₂C₂H₅
• MDL Number: MFCD00009144
• Specific Gravity: 1.09
• Solubility Information: Solubility in water: immiscible
• SMILES: CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC
• Molecular Weight (g/mol): 236.27
• Formula Weight: 236.27
• Physical Form: Liquid After Melting

Safety and Handling

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Product Identifier

• Diethyl phenylmalonate

RUO – Research Use Only