3-Isopropoxy-1-propanol

Base Information

• Chemical Name: 3-Isopropoxy-1-propanol
• CAS No.: 110-48-5
• Molecular Formula: C₆H₁₄O₂
• Molecular Weight: 118.176
• Hs Code.: 2909499000
• European Community (EC) Number: 249-597-1
• NSC Number: 221256
• UNII: 3NEA8L5L2Z
• DSSTox Substance ID: DTXSID10149090
• Nikkaji Number: J50.993K
• Wikidata: Q83014767
• Mol file: 110-48-5.mol

Synonyms:3-Isopropoxy-1-propanol;110-48-5;Isopropoxypropanol;Dowanol pip;1-Propanol, 3-isopropoxy-;Propylene glycol isopropyl ether;3-(propan-2-yloxy)propan-1-ol;1-Propanol, 3-(1-methylethoxy)-;3-propan-2-yloxypropan-1-ol;Propylene glycol monoisopropyl ether;NSC 221256;BRN 1732698;3-Isopropoxypropan-1-ol;3NEA8L5L2Z;NSC-221256;Propanol, isopropoxy-;O(CCCO)C(C)C;UNII-3NEA8L5L2Z;Propanol, (1-methylethoxy)-;SCHEMBL188204;DTXSID10149090;WLN: Q3OY1 & 1;EINECS 249-597-1;MFCD01696843;NSC221256;3-Isopropoxy-1-propanol, AldrichCPR;AKOS005110918;3-(1-METHYLETHOXY)-1-PROPANOL;BS-37023;LS-122397;CS-0258072;EN300-69008;F8889-0417;Z1080358780

Chemical Property of 3-Isopropoxy-1-propanol

Chemical Property:

• Vapor Pressure: 0.248mmHg at 25°C
• Boiling Point: 181.5°Cat760mmHg
• Flash Point: 55.2°C
• PSA: 29.46000
• Density: 0.896g/cm³
• LogP: 0.79380
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 118.099379685
• Heavy Atom Count: 8
• Complexity: 43.8

Purity/Quality:

97% ^*data from raw suppliers

3-(Propan-2-yloxy)propan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OCCCO

Technology Process of 3-Isopropoxy-1-propanol

There total 3 articles about 3-Isopropoxy-1-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:

trimethylene oxide (503-30-0) + isopropyl alcohol (67-63-0,8013-70-5) → 3-isopropoxypropan-1-ol (110-48-5)

Guidance literature:

/BRN= 1731204/;

DOI:10.1021/ja01630a015

Reference yield:

isopropyl alcohol (67-63-0,8013-70-5) + trimethyleneglycol (504-63-2) → 3-isopropoxypropan-1-ol (110-48-5)

Guidance literature:

With dodecatungstophosphoric acid (H₃PW₁₂O₄₀) supported on K-10 clay; at 170 ℃; for 3h; Temperature; Concentration; Kinetics; Autoclave;

DOI:10.1016/j.cattod.2014.02.009

Reference yield:

→ 3-isopropoxypropan-1-ol (110-48-5)

Guidance literature:

3-Isopropoxypropionsaeuremethylester, LiAlH4;

DOI:10.1021/ja01047a013

upstream raw materials:

trimethylene oxide

isopropyl alcohol

trimethyleneglycol

Refernces

• 1、 Yadav, Ganapati D.,Tekale, Devendra P.. "Selective mono-isopropylation of 1,3-propanediol with isopropylalcohol using heteropoly acid supported on K-10 clay catalyst". . p. 54 - 61. Retrieved 2014.