1-(2H5)ethoxy(2H5)ethane

• ChemBase ID: 143246
• Molecular Formular: C4H10O
• Molecular Mass: 74.1216
• Monoisotopic Mass: 74.07316494
• SMILES: CCOCC
• Canonical SMILES: CCOCC
• InChI: InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
• InChIKey: RTZKZFJDLAIYFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(^2H₅)ethoxy(^2H₅)ethane
• IUPAC Traditional name: 1-(^2H₅)ethoxy(^2H₅)ethane
• Synonyms: Diethyl ether-d10; Di(ethyl-d5) ether; Ether-d10; Diethyl ether-d; 氘代乙醚; 乙醚-d10

Database IDs

• CAS Number: 2679-89-2
• EC Number: 220-235-4
• MDL Number: MFCD00062316
• PubChem SID: 162237467; 24882121
• PubChem CID: 2723765

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.83816534
• LogD (pH = 7.4): 0.83816534
• Log P: 0.83816534
• Molar Refractivity: 22.5097 cm^3
• Polarizability: 8.788117 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid in prescored ampoules
• Melting Point: -116 °C(lit.); -116°C
• Boiling Point: 33-34 °C(lit.); 33-34°C
• Flash Point: -40 °C; -40 °F; -40°C(-40°F)
• Density: 0.801 g/mL at 25 °C; 0.82
• Mass Shift: M+10

Safety Information

• European Hazard Symbols: Highly flammable (F+); X; Harmful (Xn)
• UN Number: 1155; UN1155
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 1; I
• Risk Statements: 12-19-22-66-67
• Safety Statements: 9-16-29-33
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H302-H336
• GHS Precautionary statements: P210-P261; P210-P273-P243-P403
• RID/ADR: UN 1155 3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Repeated exposure may cause skin dryness or cracking.

Product Information

• Isotopic Purity: 99 atom % D
• Mol. Weight: mol wt 84.18
• Linear Formula: (C2D5)2O

DETAILS

Sigma Aldrich - 613479

Packaging
1, 5 g in ampule