2-(tetradecyloxy)ethan-1-ol

• ChemBase ID: 156622
• Molecular Formular: C16H34O2
• Molecular Mass: 258.43996
• Monoisotopic Mass: 258.25588033
• SMILES: CCCCCCCCCCCCCCOCCO
• Canonical SMILES: CCCCCCCCCCCCCCOCCO
• InChI: InChI=1S/C16H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17/h17H,2-16H2,1H3
• InChIKey: QHERURXKGFABNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tetradecyloxy)ethan-1-ol
• IUPAC Traditional name: 2-(tetradecyloxy)ethanol
• Synonyms: 2-(Tetradecyloxy)ethanol; C14E1; Tetradecylglycol; Ethylene glycol monotetradecyl ether

Database IDs

• CAS Number: 2136-70-1
• EC Number: 218-371-4
• MDL Number: MFCD00043349
• Beilstein Number: 1904949
• PubChem SID: 24845607; 162250759
• PubChem CID: 16491

CALCULATED PROPERTIES

• Acid pKa: 15.12132
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.204033
• LogD (pH = 7.4): 5.204033
• Log P: 5.204033
• Molar Refractivity: 79.1884 cm^3
• Polarizability: 31.522367 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 33-34 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (TLC)
• Description: non-ionic
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cr: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤50 mg/kg; Mg: ≤50 mg/kg; Mn: ≤50 mg/kg; Na: ≤50 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Linear Formula: CH3(CH2)13OCH2CH2OH