2-(oxan-2-yloxy)ethan-1-ol

• ChemBase ID: 152501
• Molecular Formular: C7H14O3
• Molecular Mass: 146.18426
• Monoisotopic Mass: 146.09429431
• SMILES: C1CCOC(C1)OCCO
• Canonical SMILES: OCCOC1CCCCO1
• InChI: InChI=1S/C7H14O3/c8-4-6-10-7-3-1-2-5-9-7/h7-8H,1-6H2
• InChIKey: XDBZJXRPEKFIFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxan-2-yloxy)ethan-1-ol
• IUPAC Traditional name: 2-(oxan-2-yloxy)ethanol
• Synonyms: 2-(2-Hydroxyethoxy)tetrahydropyran; 2-(Tetrahydro-2H-pyran-2-yloxy)ethanol; 2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethanol; 1-Hydroxy-2-(2-tetrahydropyranyloxy)ethane; Ethylene Glycol Mono(tetrahydropyranyl Ether); Tetrahydropyranylethyleneglycol; 2-(2-羟基乙氧基)四氢吡喃; 2-(四氢-2H-吡喃-2-氧基)乙醇

Database IDs

• CAS Number: 2162-31-4
• MDL Number: MFCD00185588
• Beilstein Number: 1280440
• PubChem SID: 162246646; 24888907
• PubChem CID: 4166833

CALCULATED PROPERTIES

• Acid pKa: 15.115348
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.33501464
• LogD (pH = 7.4): 0.33501464
• Log P: 0.33501464
• Molar Refractivity: 37.3383 cm^3
• Polarizability: 14.936832 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Dichloromethane; Ethyl Acetate
• Apperance: Colourless Oil
• Boiling Point: 95 °C/22 mmHg(lit.)
• Flash Point: 108 °C; 226.4 °F
• Density: 1.077 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.457

Safety Information

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

Product Information

• Purity: ≥98.0% (GC)
• Empirical Formula (Hill Notation): C7H14O3

DETAILS

Sigma Aldrich - 87477

Packaging
5, 25 mL in glass bottle