1-Propoxy-2-propanol

Base Information

• Chemical Name: 1-Propoxy-2-propanol
• CAS No.: 1569-01-3
• Molecular Formula: C6H14 O2
• Molecular Weight: 118.176
• Hs Code.: 2909.49
• European Community (EC) Number: 216-372-4
• UNII: 152BY1743W
• DSSTox Substance ID: DTXSID5029217
• Nikkaji Number: J13.129F
• Wikidata: Q26840797
• RXCUI: 1358844
• ChEMBL ID: CHEMBL1487817
• Mol file: 1569-01-3.mol

Synonyms:1-propoxy-2-propanol

Chemical Property of 1-Propoxy-2-propanol

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 3.8hPa at 25℃
• Melting Point: -80 C
• Refractive Index: 1.4110
• Boiling Point: 140 - 160 C
• PKA: 14.50±0.20(Predicted)
• Flash Point: 48 C
• PSA: 29.46000
• Density: 0.885 g/mL at 25 °C(lit.)
• LogP: 0.79380
• Water Solubility.: Completely soluble in water
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 118.099379685
• Heavy Atom Count: 8
• Complexity: 45.8

Purity/Quality:

99% ^*data from raw suppliers

1-Propoxy-2-propanol (contains 2-Isopropoxy-1-propanol) >93.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Glycol Ethers (P Series)
• Canonical SMILES: CCCOCC(C)O

Technology Process of 1-Propoxy-2-propanol

There total 10 articles about 1-Propoxy-2-propanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 34.4%

propan-1-ol (71-23-8) + methyloxirane (75-56-9,16033-71-9) → 1-(1-propyloxy)propan-2-ol (1569-01-3)

Guidance literature:

With Al₂O₃/MgO composite; at 120 ℃; Inert atmosphere;

DOI:10.1016/j.apcata.2011.09.010

Reference yield:

propylene glycol (57-55-6,63625-56-9) → propan-1-ol (71-23-8) + 2-ethyl-4-methyl-1,3-dioxolane (4359-46-0) + Dipropyl ether (111-43-3) + 2-propoxy-1-propanol (10215-30-2) + 1-(1-propyloxy)propan-2-ol (1569-01-3) + propionaldehyde (123-38-6)

Guidance literature:

With bis(dicarbonyl)(μ-hydrido)(pentamethylcyclopentadiene)ruthenium trifluoromethanesulfonate; trifluorormethanesulfonic acid; hydrogen; In sulfolane; at 110 ℃; for 30h; under 38787.1 Torr; Solvent; Pressure; Concentration; Temperature; Time; regioselective reaction; Mechanism; Kinetics;

DOI:10.1002/adsc.200800685

Reference yield:

→ 1-(1-propyloxy)propan-2-ol (1569-01-3) + citric acid (77-92-9,906507-37-7)

Guidance literature:

Purification / work up;

upstream raw materials:

propan-1-ol

methyloxirane

sodium n-propoxide

Allyl glycidyl ether

Downstream raw materials:

1-propoxy-propan-2-one