541389

2,2-Dimethyl-1,3-dioxolan-4-one

96%

• Empirical Formula (Hill Notation): C₅H₈O₃
• CAS Number: 4158-86-5
• Molecular Weight: 116.12
• MDL number: MFCD03093984
• UNSPSC Code: 12352100
• PubChem Substance ID: 24878532
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 96%
• refractive index: n20/D 1.415 (lit.)
• bp: 41 °C (lit.)
• density: 0.989 g/mL at 25 °C (lit.)
• functional group: ester; ether; ketal
• SMILES string: CC1(C)OCC(=O)O1
• InChI: 1S/C5H8O3/c1-5(2)7-3-4(6)8-5/h3H2,1-2H3
• InChI key: JKUCOZWILDFXMF-UHFFFAOYSA-N

Description

General description

2,2-Dimethyl-1,3-dioxolan-4-one can be prepared via condensation reaction between glycolic acid and acetone in the presence of P₂O₅ in diethyl ether.[1]

Application

2,2-Dimethyl-1,3-dioxolan-4-one may be used in the synthesis of the following N,N-disubstituted amides of glycolic acid:[1]

• N,N-diethyl-2-hydroxyacetamide
• N,N-di(n-butyl)-2-hydroxyacetamide
• N,N-di(n-hexyl)-2-hydroxyacetamide
• 4-hydroxyacetylpiperidine
• 4-hydroxyacetylmorpholine
• N-ethyl-N-phenyl-2-hydroxyacetamide

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H315,H319,H335
• pcodes: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 135.0 °F - closed cup
• flash_point_c: 57.2 °C - closed cup
• ppe: Eyeshields, Gloves