1-(2-hydroxypropoxy)propan-2-ol

• ChemBase ID: 295514
• Molecular Formular: C6H14O3
• Molecular Mass: 134.17356
• Monoisotopic Mass: 134.09429431
• SMILES: CC(COCC(C)O)O
• Canonical SMILES: CC(COCC(O)C)O
• InChI: InChI=1S/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3
• InChIKey: AZUXKVXMJOIAOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-hydroxypropoxy)propan-2-ol
• IUPAC Traditional name: 1,1'-oxydi-2-propanol
• Synonyms: Bis(hydroxypropyl) ether; Oxybispropanol; Dipropylene glycol, mixture of isomers; 一缩二丙二醇, 异构体混合物

Database IDs

• CAS Number: 25265-71-8
• EC Number: 246-770-3
• MDL Number: MFCD00051023
• PubChem SID: 180681045
• PubChem CID: 8087

CALCULATED PROPERTIES

• Acid pKa: 14.55252
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.42250454
• LogD (pH = 7.4): -0.42250457
• Log P: -0.42250454
• Molar Refractivity: 34.4347 cm^3
• Polarizability: 13.751487 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -32°C
• Boiling Point: 231-235°C
• Density: 1.022
• Refractive Index: 1.4410

Safety Information

• Storage Warning: Hygroscopic
• RTECS: UB9765000
• TSCA Listed: 是

Product Information

• Purity: 99%