2-[2-(benzyloxy)ethoxy]ethan-1-ol

• ChemBase ID: 145344
• Molecular Formular: C11H16O3
• Molecular Mass: 196.24294
• Monoisotopic Mass: 196.10994437
• SMILES: c1ccc(cc1)COCCOCCO
• Canonical SMILES: OCCOCCOCc1ccccc1
• InChI: InChI=1S/C11H16O3/c12-6-7-13-8-9-14-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
• InChIKey: LJVNVNLFZQFJHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(benzyloxy)ethoxy]ethan-1-ol
• IUPAC Traditional name: 2-[2-(benzyloxy)ethoxy]ethanol
• Synonyms: 2-[2-(Benzyloxy)ethoxy]ethanol; Di(ethylene glycol) benzyl ether; 2-[2-(苯基甲氧基)乙氧基]乙醇; 二（乙二醇）苯甲醚

Database IDs

• CAS Number: 2050-25-1
• MDL Number: MFCD00029649
• PubChem SID: 24873295; 162239550
• PubChem CID: 229722

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.111945
• LogD (pH = 7.4): 1.111945
• Log P: 1.111945
• Molar Refractivity: 54.9609 cm^3
• Polarizability: 21.534023 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80-110 °C/0.5 mmHg(lit.)
• Density: 1.094 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.51(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: C6H5CH2OCH2CH2OCH2CH2OH

DETAILS

Sigma Aldrich - 499633

Packaging
5, 25 mL in glass bottle