2,5-dimethoxy-2,5-dihydrofuran

• ChemBase ID: 107506
• Molecular Formular: C6H10O3
• Molecular Mass: 130.1418
• Monoisotopic Mass: 130.06299418
• SMILES: COC1OC(OC)C=C1
• Canonical SMILES: COC1C=CC(O1)OC
• InChI: InChI=1S/C6H10O3/c1-7-5-3-4-6(8-2)9-5/h3-6H,1-2H3
• InChIKey: WXFWXFIWDGJRSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethoxy-2,5-dihydrofuran
• IUPAC Traditional name: 2,5-dimethoxy-2,5-dihydrofuran
• Synonyms: 2,5-DIHYDRO-2,5-DIMETHOXYFURAN; 2,5-dimethoxy-2,5-dihydrofuran; DMDF; 2,5-Dihydro-2,5-dimethoxyfuran; 2,5-Dimethoxy-2,5-dihydrofuran, mixture of cis and trans; 2,5-Dimethoxy-2,5-dihydrofuran; 2,5-Dihydro-2,5-dimethoxyfuran, cis + trans; 2,5-二氢-2,5-二甲氧基呋喃; 2,5-二甲氧基-2,5-二氢呋喃，顺式和反式混合物; 2,5-二氢-2,5-二甲氧基呋喃,顺式 + 反式

Database IDs

• CAS Number: 332-77-4
• EC Number: 206-367-5
• MDL Number: MFCD00003220
• Beilstein Number: 113225
• PubChem SID: 24893263; 162093414
• PubChem CID: 78974

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0380453
• LogD (pH = 7.4): 1.0380453
• Log P: 1.0380453
• Molar Refractivity: 32.9243 cm^3
• Polarizability: 12.929244 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: <-40°C
• Boiling Point: 160-162 °C(lit.); 160-162°C
• Flash Point: 116.6 °F; 47 °C; 47°C(116°F)
• Density: 1.072; 1.073 g/mL at 25 °C(lit.)
• Refractive Index: 1.4350; n20/D 1.434(lit.)

Safety Information

• European Hazard Symbols: X
• UN Number: 1993; UN3271
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10; 10-20/22
• Safety Statements: 7/9-23-36
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Warning
• GHS Hazard statements: H226; H301-H332-H226
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A
• 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: 95+%; 97%; 99%
• Empirical Formula (Hill Notation): C6H10O3

DETAILS

MP Biomedicals - 05204008

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D134104

Packaging
100 g in glass bottle

REFERENCES

• Synthetic equivalent (cyclic acetal) of the unstable maleic dialdehyde.