O-{2-[(2H)hydroxy]ethyl}(2H)

• ChemBase ID: 140675
• Molecular Formular: C2H6O2
• Molecular Mass: 62.06784
• Monoisotopic Mass: 62.03677943
• SMILES: OCCO
• Canonical SMILES: OCCO
• InChI: InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
• InChIKey: LYCAIKOWRPUZTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-{2-[(^2H)hydroxy]ethyl}(^2H)
• IUPAC Traditional name: O-{2-[(^2H)hydroxy]ethyl}(^2H)
• Synonyms: Ethylene glycol-(OD)2; 乙二醇-(OD)2

Database IDs

• CAS Number: 2219-52-5
• MDL Number: MFCD00075277
• PubChem SID: 162234916; 24861206
• PubChem CID: 10986148

CALCULATED PROPERTIES

• Acid pKa: 14.830189
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2086791
• LogD (pH = 7.4): -1.2086791
• Log P: -1.2086791
• Molar Refractivity: 14.5536 cm^3
• Polarizability: 5.8506713 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -13 °C(lit.)
• Boiling Point: 196-198 °C(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 1.148 g/mL at 25 °C
• Refractive Index: n20/D 1.429(lit.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 64.09
• Linear Formula: DOCH2CH2OD

DETAILS

Sigma Aldrich - 343811

Packaging
1, 10 g in ampule