1-Isopropoxy-2-propanol

Base Information

• Chemical Name: 1-Isopropoxy-2-propanol
• CAS No.: 3944-36-3
• Molecular Formula: C6H14 O2
• Molecular Weight: 118.176
• Hs Code.: 2909499000
• European Community (EC) Number: 223-533-2
• NSC Number: 2412
• UNII: 1J5453324A
• DSSTox Substance ID: DTXSID40863297
• Nikkaji Number: J87.482E
• Wikidata: Q27252479
• Mol file: 3944-36-3.mol

Synonyms:1-Isopropoxy-2-propanol;3944-36-3;1-Isopropoxypropan-2-ol;2-Propanol, 1-(1-methylethoxy)-;2-PROPANOL, 1-ISOPROPOXY-;1-propan-2-yloxypropan-2-ol;UNII-1J5453324A;NSC 2412;NSC-2412;EINECS 223-533-2;1J5453324A;1-isopropoxy-propan-2-ol;SCHEMBL2703;WLN: QY1&1OY1&1;1-(1-methylethoxy)-2-propanol;DTXSID40863297;NSC2412;MFCD06252288;AKOS011042678;I1084;1-ISOPROPYLOXY-2-PROPANOL, (+/-)-;T72421;Q27252479

Chemical Property of 1-Isopropoxy-2-propanol

Chemical Property:

• Vapor Pressure: 2.96mmHg at 25°C
• Melting Point: -69.47°C (estimate)
• Refractive Index: 1.4070
• Boiling Point: 137.5°Cat760mmHg
• PKA: 14.53±0.20(Predicted)
• Flash Point: 48.2°C
• PSA: 29.46000
• Density: 0.893g/cm³
• LogP: 0.79220
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 118.099379685
• Heavy Atom Count: 8
• Complexity: 52.5

Purity/Quality:

99% ^*data from raw suppliers

1-Isopropoxy-2-propanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Isopropoxy-2-propanol

There total 9 articles about 1-Isopropoxy-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: 77.0%

glycidyl isopropyl ether (4016-14-2) → 1-isopropoxy-2-propanol (3944-36-3)

Guidance literature:

With triethylamine-borane; lithium perchlorate; In diethyl ether; at 20 ℃; for 1h;

DOI:10.1055/s-2004-822406

Reference yield: 31.1%

isopropyl alcohol (67-63-0,8013-70-5) + methyloxirane (75-56-9,16033-71-9) → 1-isopropoxy-2-propanol (3944-36-3)

Guidance literature:

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

DOI:10.1016/j.apcata.2011.09.010

Reference yield:

mevalonolactone (674-26-0,503-48-0) → 1-isopropoxy-2-propanol (3944-36-3) + 2-Ethyltoluene (611-14-3) + para-xylene (106-42-3) + 1,2,3-trimethylbenzene (526-73-8) + acetic acid (64-19-7,77671-22-8) + propionic acid (802294-64-0,79-09-4) + m-xylene (108-38-3,104809-90-7) + acetone (67-64-1) + toluene (108-88-3,15644-74-3,16713-13-6) + butanone (78-93-3)

Guidance literature:

With ZSM-5; In water; at 200 ℃; under 27002.7 Torr; Flow reactor; Molecular sieve;

upstream raw materials:

isopropyl alcohol

methyloxirane

sodium isopropylate

2,2,4-trimethyl-1,3-dioxolane

Refernces

• 1、 Rahmatpour, Ali,Zamani, Maryam. "MBA-cross-linked poly(N-vinyl-2-pyrrolidone)/ferric chloride macromolecular coordination complex as a novel and recyclable Lewis acid catalyst: Synthesis, characterization, and performance toward for regioselective ring-opening alcoholysis of epoxides". . . Retrieved 2021/09/30.
• 2、 -. "PROCESSES FOR CONVERSION OF BIOLOGICALLY DERIVED MEVALONIC ACID". Paragraph 0095-0103. . Retrieved 2016/06/13.