2-(2-propoxyethoxy)ethan-1-ol

• ChemBase ID: 158701
• Molecular Formular: C7H16O3
• Molecular Mass: 148.20014
• Monoisotopic Mass: 148.10994437
• SMILES: CCCOCCOCCO
• Canonical SMILES: CCCOCCOCCO
• InChI: InChI=1S/C7H16O3/c1-2-4-9-6-7-10-5-3-8/h8H,2-7H2,1H3
• InChIKey: DJCYDDALXPHSHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-propoxyethoxy)ethan-1-ol
• IUPAC Traditional name: 2-(2-propoxyethoxy)ethanol
• Synonyms: 2-(2-Propoxyethoxy)ethanol; DP Solvent; Diethylene glycol monopropyl ether; 2-(2-丙氧乙氧基)乙醇; DP 溶剂; 二乙二醇单丙醚

Database IDs

• CAS Number: 6881-94-3
• EC Number: 229-985-7
• MDL Number: MFCD00072697
• PubChem SID: 24878240; 162252837
• PubChem CID: 81313

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.26680225
• LogD (pH = 7.4): 0.26680225
• Log P: 0.26680225
• Molar Refractivity: 39.6209 cm^3
• Polarizability: 15.65072 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 212-216 °C(lit.)
• Flash Point: 199.4 °F; 93 °C
• Density: 0.969 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.435(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 99%
• Linear Formula: C3H7OCH2CH2OC2H5OH

DETAILS

Sigma Aldrich - 537667

Packaging
1 L in poly bottle