1,4-diethoxybenzene

• ChemBase ID: 78361
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: O(c1ccc(cc1)OCC)CC
• Canonical SMILES: CCOc1ccc(cc1)OCC
• InChI: InChI=1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3
• InChIKey: VWGNFIQXBYRDCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diethoxybenzene
• IUPAC Traditional name: diethoxybenzene
• Synonyms: 1,4-Diethoxybenzene; Hydroquinone diethylether; 1,4-Diethoxybenzene 98%; Hydroquinone diethyl ether; 氢醌二乙基醚; 对二乙氧基苯; 1,4-二乙氧基苯

Database IDs

• CAS Number: 122-95-2
• EC Number: 204-585-5
• MDL Number: MFCD00015146
• Beilstein Number: 2044373
• PubChem SID: 24878716; 162043130
• PubChem CID: 67150

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: 19.045471 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69-71°C; 69-72 °C(lit.); 69-72°C
• Boiling Point: 245-248°C; 245-248°C

Safety Information

• Storage Warning: Irritant
• German water hazard class: 1
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%; 98%
• Linear Formula: (C2H5O)2C6H4