1,3-diethoxybenzene

• ChemBase ID: 295200
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: CCOc1cccc(c1)OCC
• Canonical SMILES: CCOc1cccc(c1)OCC
• InChI: InChI=1S/C10H14O2/c1-3-11-9-6-5-7-10(8-9)12-4-2/h5-8H,3-4H2,1-2H3
• InChIKey: MKGFYMKFBCWNCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-diethoxybenzene
• IUPAC Traditional name: 1,3-diethoxybenzene
• Synonyms: Resorcinol diethyl ether; 1,3-Diethoxybenzene; 1,3-二乙氧基苯

Database IDs

• CAS Number: 2049-73-2
• EC Number: 218-071-3
• MDL Number: MFCD00015145
• Beilstein Number: 2517730
• PubChem SID: 180680731
• PubChem CID: 74899

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.371519
• LogD (pH = 7.4): 2.371519
• Log P: 2.371519
• Molar Refractivity: 48.4816 cm^3
• Polarizability: 19.046417 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 11-12°C
• Boiling Point: 234-236°C
• Density: 1.010
• Refractive Index: 1.5095

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%