2-(2-ethoxyethoxy)ethan-1-(2H)ol

• ChemBase ID: 137637
• Molecular Formular: C6H14O3
• Molecular Mass: 134.17356
• Monoisotopic Mass: 134.09429431
• SMILES: OCCOCCOCC
• Canonical SMILES: OCCOCCOCC
• InChI: InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
• InChIKey: XXJWXESWEXIICW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxyethoxy)ethan-1-(^2H)ol
• IUPAC Traditional name: 2-(2-ethoxyethoxy)ethan(^2H)ol
• Synonyms: 2-(2-Ethoxyethoxy)ethan(ol-d); 二乙二醇乙醚-d

Database IDs

• CAS Number: 37421-08-2
• EC Number: 253-502-9
• MDL Number: MFCD00002873
• PubChem SID: 162231899; 24850077
• PubChem CID: 2723953

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.25572014
• LogD (pH = 7.4): -0.25572014
• Log P: -0.25572014
• Molar Refractivity: 35.0969 cm^3
• Polarizability: 13.889778 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 204.8 °F; 96 °C
• Density: 1.006 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.426(lit.)
• Mass Shift: M+1

Safety Information

• German water hazard class: 3
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H331
• GHS Precautionary statements: P261-P311

Product Information

• Isotopic Purity: 97 atom % D
• Mol. Weight: mol wt 135.15 by atom % calculation
• Linear Formula: C2H5OCH2CH2OCH2CH2OD

DETAILS

Sigma Aldrich - 164496

Packaging
50 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.