2-[4-(2-hydroxyethoxy)phenoxy]ethan-1-ol

• ChemBase ID: 149956
• Molecular Formular: C10H14O4
• Molecular Mass: 198.21576
• Monoisotopic Mass: 198.08920893
• SMILES: c1cc(ccc1OCCO)OCCO
• Canonical SMILES: OCCOc1ccc(cc1)OCCO
• InChI: InChI=1S/C10H14O4/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h1-4,11-12H,5-8H2
• InChIKey: WTPYFJNYAMXZJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-hydroxyethoxy)phenoxy]ethan-1-ol
• IUPAC Traditional name: 2-[4-(2-hydroxyethoxy)phenoxy]ethanol
• Synonyms: 1,4-Bis(2-hydroxyethoxy)benzene; 2,2'-(1,4-Phenylenebis(oxy))diethanol; 2,2′-(1,4-Phenylenedioxy)diethanol; Hydroquinone bis(2-hydroxyethyl) ether; 氢醌二(2-羟基乙基)醚; 2,2′-(1,4-亚苯基双氧)双乙醇; 氢醌-双(2-羟乙基醚)

Database IDs

• CAS Number: 104-38-1
• EC Number: 203-197-3
• MDL Number: MFCD00002861
• PubChem SID: 162244118; 24854277
• PubChem CID: 66912

CALCULATED PROPERTIES

• Acid pKa: 14.801143
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.27769926
• LogD (pH = 7.4): 0.27769923
• Log P: 0.27769926
• Molar Refractivity: 51.569 cm^3
• Polarizability: 20.312117 Å^3
• Polar Surface Area: 58.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100-102 °C(lit.); 100-102°C
• Auto Ignition Point: 874 °F

Safety Information

• Storage Warning: Hygroscopic
• German water hazard class: 1
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%; 95+%; 98%
• Linear Formula: C6H4(OCH2CH2OH)2

DETAILS

Sigma Aldrich - 237914

Packaging
1 kg in poly bottle
100 g in poly bottle