1-[(2-ethylhexyl)oxy]-4-methoxybenzene

• ChemBase ID: 144809
• Molecular Formular: C15H24O2
• Molecular Mass: 236.34986
• Monoisotopic Mass: 236.17763001
• SMILES: CCCCC(CC)COc1ccc(cc1)OC
• Canonical SMILES: CCCCC(COc1ccc(cc1)OC)CC
• InChI: InChI=1S/C15H24O2/c1-4-6-7-13(5-2)12-17-15-10-8-14(16-3)9-11-15/h8-11,13H,4-7,12H2,1-3H3
• InChIKey: IMRTUSZHEQXAFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-ethylhexyl)oxy]-4-methoxybenzene
• IUPAC Traditional name: 1-[(2-ethylhexyl)oxy]-4-methoxybenzene
• Synonyms: 1-[(2-Ethylhexyl)oxy]-4-methoxybenzene; 1-[(2-乙基己基)氧]-4-甲氧基苯

Database IDs

• CAS Number: 146370-51-6
• MDL Number: MFCD03701514
• PubChem SID: 24878975; 162239021
• PubChem CID: 3341005

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.680481
• LogD (pH = 7.4): 4.680481
• Log P: 4.680481
• Molar Refractivity: 71.1326 cm^3
• Polarizability: 28.2692 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 303-304 °C(lit.)
• Density: 0.960 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4960(lit.)

Safety Information

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

Product Information

• Linear Formula: CH3OC6H4OCH2CH(C2H5)(CH2)3CH3

DETAILS

Sigma Aldrich - 547727

General description
Intermediate for a conductive polymer.
Packaging
1, 5 g in glass bottle