1,2-diethoxybenzene

• ChemBase ID: 92288
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: O(c1c(cccc1)OCC)CC
• Canonical SMILES: CCOc1ccccc1OCC
• InChI: InChI=1S/C10H14O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H3
• InChIKey: QZYDOKBVZJLQCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-diethoxybenzene
• IUPAC Traditional name: benzene, 1,2-diethoxy-
• Synonyms: Catechol diethyl ether; 1,2-Diethoxybenzene; o-DIETHOXY BENZENE; 1,2-Diethoxybenzene; 1,2-二乙氧基苯

Database IDs

• CAS Number: 2050-46-6
• EC Number: 218-089-1
• MDL Number: MFCD00015143
• Beilstein Number: 2046149
• PubChem SID: 162078986
• PubChem CID: 74904

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: 19.047955 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 43-45°C
• Boiling Point: 218-220°C

Safety Information

• RTECS: CZ5580000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H319
• GHS Precautionary statements: P280-P264-P305+P351+P338-P337+P313

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05208260

MP Biomedicals Rare Chemical collection