2-[2-(2-butoxyethoxy)ethoxy]ethan-1-ol

• ChemBase ID: 301967
• Molecular Formular: C10H22O4
• Molecular Mass: 206.27928
• Monoisotopic Mass: 206.15180918
• SMILES: CCCCOCCOCCOCCO
• Canonical SMILES: CCCCOCCOCCOCCO
• InChI: InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3
• InChIKey: COBPKKZHLDDMTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-butoxyethoxy)ethoxy]ethan-1-ol
• IUPAC Traditional name: triethylene glycol butyl ether
• Synonyms: Triethylene glycol monobutyl ether; 三乙二醇单丁醚

Database IDs

• CAS Number: 143-22-6
• EC Number: 205-592-6
• MDL Number: MFCD00020606
• Beilstein Number: 1750600

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6643954
• LogD (pH = 7.4): 0.6643954
• Log P: 0.6643954
• Molar Refractivity: 55.2654 cm^3
• Polarizability: 21.87372 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -35°C
• Boiling Point: 272°C
• Flash Point: 147°C(297°F)
• Density: 0.986
• Refractive Index: 1.4380

Safety Information

• RTECS: KJ9450000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 41
• Safety Statements: 26-39-46
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305+P351+P338-P310

Product Information

• Purity: 98%