2-methoxy-1,3-dioxolane

• ChemBase ID: 140288
• Molecular Formular: C4H8O3
• Molecular Mass: 104.10452
• Monoisotopic Mass: 104.04734412
• SMILES: COC1OCCO1
• Canonical SMILES: COC1OCCO1
• InChI: InChI=1S/C4H8O3/c1-5-4-6-2-3-7-4/h4H,2-3H2,1H3
• InChIKey: VRAYTNFBRROPJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-1,3-dioxolane
• IUPAC Traditional name: 2-methoxy-1,3-dioxolane
• Synonyms: 2-Methoxy-1,3-dioxolane; 2-甲氧基-1,3-二氧戊环

Database IDs

• CAS Number: 19693-75-5
• EC Number: 243-229-3
• MDL Number: MFCD00003208
• Beilstein Number: 103177
• PubChem SID: 162234532; 24852989
• PubChem CID: 29744

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.57191664
• LogD (pH = 7.4): 0.57191664
• Log P: 0.57191664
• Molar Refractivity: 23.3694 cm^3
• Polarizability: 9.541955 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 129-130 °C(lit.)
• Flash Point: 34 °C; 93.2 °F
• Density: 1.092 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.409; n20/D 1.409(lit.)

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥98.0% (GC); 99%
• Grade: purum
• Empirical Formula (Hill Notation): C4H8O3

DETAILS

Sigma Aldrich - 217050

Packaging
50 g in glass bottle

Sigma Aldrich - 64954

Other Notes
For the conversion of carbonyl compounds to ethylene acetals1; Protecting group for alcohols in nucleosides2