Diethyl Phenylmalonate , >97.0%(GC) , 83-13-6

CAS NO.：83-13-6

Empirical Formula: C13H16O4

Molecular Weight: 236.26

MDL number: MFCD00009144

EINECS: 201-456-5

PRODUCT Properties

• Melting point: 16 °C (lit.)
• Boiling point: 170-172 °C/14 mmHg (lit.)
• Density: 1.095 g/mL at 25 °C (lit.)
• refractive index: n20/D 1.491(lit.)
• Flash point: >230 °F
• storage temp.: Sealed in dry,Room Temperature
• form: Liquid After Melting
• pka: 11.84±0.46(Predicted)
• color: Clear colorless to yellow
• Water Solubility: immiscible
• BRN: 614465
• 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
• SMILES: CCOC(=O)C(C(=O)OCC)c1ccccc1
• LogP: 2.71 at 20℃
• CAS DataBase Reference: 83-13-6(CAS DataBase Reference)
• NIST Chemistry Reference: Propanedioic acid, phenyl-, diethyl ester(83-13-6)
• EPA Substance Registry System: Propanedioic acid, phenyl-, diethyl ester (83-13-6)

Description and Uses

Diethyl phenylmalonate was used in the synthesis of felbamate-d4 (2-phenyl-1,3-propanediol-l,l,3,3-d4 dicarbamate) using lithium aluminum deuteride.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P305+P351+P338
• PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
• Safety Statements: 23-24/25
• WGK Germany: 3
• TSCA: TSCA listed
• HS Code: 29173980
• Storage Class: 10 - Combustible liquids