1,3-Diisopropoxy-2-propanol

Base Information

• Chemical Name: 1,3-Diisopropoxy-2-propanol
• CAS No.: 13021-54-0
• Molecular Formula: C9H20 O3
• Molecular Weight: 176.256
• Hs Code.: 2909499000
• NSC Number: 46561
• UNII: KAH8EA8BKA
• DSSTox Substance ID: DTXSID80156413
• Nikkaji Number: J69.760E
• Wikidata: Q83024477
• Mol file: 13021-54-0.mol

Synonyms:1,3-Diisopropoxy-2-propanol;13021-54-0;2-Propanol, 1,3-diisopropoxy-;1,3-Diisopropyl glycerol diether;2-Propanol, 1,3-bis(1-methylethoxy)-;1,3-di(propan-2-yloxy)propan-2-ol;Glycerol alpha,gamma-diisopropyl ether;KAH8EA8BKA;NSC 46561;BRN 1699805;NSC-46561;1,3-bis(propan-2-yloxy)propan-2-ol;UNII-KAH8EA8BKA;2-Propanol,3-diisopropoxy-;1,3-diisopropoxypropan-2-ol;SCHEMBL1838790;NIOSH/UA7373000;DTXSID80156413;1,3-Bis(isopropoxy)-2-propanol;NSC46561;WLN: 1Y1&O1YQ1OY1&1;2-Propanol, 1,3-bis(isopropoxy)-;2-Propanol,3-bis(1-methylethoxy)-;alpha,gamma-Diisopropyl glycerol ether;AKOS024333903;1,3-DIISOPROPOXY-PROPANE-2-OL;Glycerol .alpha.,.gamma.-diisopropyl ether;LS-121764;LS-122146;UA73730000

Chemical Property of 1,3-Diisopropoxy-2-propanol

Chemical Property:

• Vapor Pressure: 0.00823mmHg at 25°C
• Boiling Point: 237°Cat760mmHg
• Flash Point: 97.1°C
• PSA: 38.69000
• Density: 0.935g/cm³
• LogP: 1.19730
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 176.14124450
• Heavy Atom Count: 12
• Complexity: 89.9

Purity/Quality:

99% ^*data from raw suppliers

1,3-Diisopropoxy-2-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OCC(COC(C)C)O

Technology Process of 1,3-Diisopropoxy-2-propanol

There total 12 articles about 1,3-Diisopropoxy-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: 98.0%

glycidyl isopropyl ether (4016-14-2) + isopropyl alcohol (67-63-0,8013-70-5) → 1,3-diisopropyl glycerol (13021-54-0)

Guidance literature:

With tin(IV)tetraphenylporphyrinato trifluoromethanesulfonate; for 0.5h; Heating;

DOI:10.1016/j.tet.2004.05.069

Reference yield: 56.0%

1,3-Dichloro-2-propanol (96-23-1) + isopropyl alcohol (67-63-0,8013-70-5) → 1,3-diisopropyl glycerol (13021-54-0)

Guidance literature:

With sodium isopropylate; at 20 ℃;

DOI:10.1039/b111097g

Reference yield:

(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol (100-79-8,36543-79-0) → 1,3-diisopropyl glycerol (13021-54-0) + 3-isopropoxy-propane-1,2-diol (17226-43-6) + 2,3-O-isopropylideneglycerol (63716-05-2) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; at 200 ℃; for 4h; under 51716.2 Torr; Inert atmosphere;

upstream raw materials:

glycidyl isopropyl ether

isopropyl alcohol

1,3-Dichloro-2-propanol

sodium isopropylate

Downstream raw materials:

1,3-diisopropoxypropan-2-one