1-ethoxypropan-2-ol

• ChemBase ID: 303707
• Molecular Formular: C5H12O2
• Molecular Mass: 104.14758
• Monoisotopic Mass: 104.08372962
• SMILES: CCOCC(C)O
• Canonical SMILES: CCOCC(O)C
• InChI: InChI=1S/C5H12O2/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3
• InChIKey: JOLQKTGDSGKSKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxypropan-2-ol
• IUPAC Traditional name: 1-ethoxy-2-propanol
• Synonyms: Propylene glycol monoethyl ether; 1-Ethoxy-2-propanol; 1-乙氧基-2-丙醇

Database IDs

• CAS Number: 1569-02-4
• EC Number: 216-374-5
• MDL Number: MFCD00067050

CALCULATED PROPERTIES

• Acid pKa: 14.853754
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.2078304
• LogD (pH = 7.4): 0.20783038
• Log P: 0.2078304
• Molar Refractivity: 28.4722 cm^3
• Polarizability: 11.260503 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: -100°C
• Boiling Point: 132°C
• Flash Point: 42°C(108°F)
• Density: 0.896
• Refractive Index: 1.4065

Safety Information

• UN Number: UN1987
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-67
• Safety Statements: 24
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H336-H303
• GHS Precautionary statements: P210-P241-P261-P303+P361+P353-P405-P501A

Product Information

• Purity: 90+%, remainder 2-ethoxy-1-propanol