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

• ChemBase ID: 146596
• Molecular Formular: C5H6O3
• Molecular Mass: 114.09934
• Monoisotopic Mass: 114.03169405
• SMILES: C=CC1COC(=O)O1
• Canonical SMILES: C=CC1COC(=O)O1
• InChI: InChI=1S/C5H6O3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2
• InChIKey: BJWMSGRKJIOCNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethenyl-1,3-dioxolan-2-one
• IUPAC Traditional name: 4-ethenyl-1,3-dioxolan-2-one
• Synonyms: VEC; Vinyl ethylene carbonate; 4-Vinyl-1,3-dioxolan-2-one; 4-Vinyl-1,3-dioxolan-2-one; 4-乙烯基-1,3-二氧戊环-2-酮; 碳酸乙烯亚乙酯

Database IDs

• CAS Number: 4427-96-7
• MDL Number: MFCD00143315
• PubChem SID: 24873085; 162240790
• PubChem CID: 2735038

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1613314
• LogD (pH = 7.4): 1.1613314
• Log P: 1.1613314
• Molar Refractivity: 25.9003 cm^3
• Polarizability: 10.503513 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 237 °C/733 mmHg(lit.); 237°C
• Flash Point: 204.8 °F; 96 °C; 96°C(205°F)
• Density: 1.188; 1.188 g/mL at 25 °C(lit.)
• Refractive Index: 1.45; n20/D 1.45(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2810; UN2810
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 25
• Safety Statements: 20-23-36/39-45-60; 45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301; H301-H319
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A; P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 99%
• Empirical Formula (Hill Notation): C5H6O3

DETAILS

Sigma Aldrich - 496820

Application
Used to synthesize functional polymers.1
Packaging
1 kg in glass bottle
25, 100 g in glass bottle