1-(2-methoxyethoxy)-2-methylpropan-2-ol

• ChemBase ID: 152743
• Molecular Formular: C7H16O3
• Molecular Mass: 148.20014
• Monoisotopic Mass: 148.10994437
• SMILES: CC(C)(COCCOC)O
• Canonical SMILES: COCCOCC(O)(C)C
• InChI: InChI=1S/C7H16O3/c1-7(2,8)6-10-5-4-9-3/h8H,4-6H2,1-3H3
• InChIKey: SIUWDFVMEASCRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethoxy)-2-methylpropan-2-ol
• IUPAC Traditional name: 1-(2-methoxyethoxy)-2-methylpropan-2-ol
• Synonyms: 1-(2-Methoxyethoxy)-2-methyl-2-propanol; 1-(2-甲氧基乙氧基)-2-甲基-2-丙醇

Database IDs

• CAS Number: 211321-90-3
• MDL Number: MFCD03095426
• PubChem SID: 24890000; 162246886
• PubChem CID: 3485713

CALCULATED PROPERTIES

• Acid pKa: 14.61222
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.084623605
• LogD (pH = 7.4): 0.08462358
• Log P: 0.084623605
• Molar Refractivity: 39.4053 cm^3
• Polarizability: 15.65072 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.953 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.422

Safety Information

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

Product Information

• Purity: ≥98.0%
• Empirical Formula (Hill Notation): C7H16O3

DETAILS

Sigma Aldrich - 94481

Other Notes
Stable precursor for a watersoluble unstable Boc reagent, e.g. the chloroformate1
Packaging
1 mL in glass bottle