1,1-Dibutoxyacetone

Base Information

• Chemical Name: 1,1-Dibutoxyacetone
• CAS No.: 19255-82-4
• Molecular Formula: C11H22 O3
• Molecular Weight: 202.294
• Hs Code.: 2914509090
• European Community (EC) Number: 242-921-2
• NSC Number: 158339
• UNII: N7H8EWY8ED
• DSSTox Substance ID: DTXSID10172848
• Nikkaji Number: J242.754K
• Mol file: 19255-82-4.mol

Synonyms:1,1-Dibutoxyacetone;19255-82-4;1,1-dibutoxypropan-2-one;2-Propanone, 1,1-dibutoxy-;1,1-dibutoxy-2-propanone;EINECS 242-921-2;NSC-158339;NSC158339;1,1-Dibutoxyacetone #;N7H8EWY8ED;Pyruvaldehyde, dibutyl acetal;SCHEMBL1682654;DTXSID10172848;Pyruvaldehyde, 1-(dibutyl acetal);AKOS024333793;NSC 158339

Chemical Property of 1,1-Dibutoxyacetone

Chemical Property:

• Vapor Pressure: 0.00521mmHg at 25°C
• Boiling Point: 275°Cat760mmHg
• Flash Point: 110.8°C
• PSA: 35.53000
• Density: 0.918g/cm³
• LogP: 2.53490
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 202.15689456
• Heavy Atom Count: 14
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

PYRUVIC ALDEHYDE DIBUTYL ACETAL Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(C(=O)C)OCCCC

Technology Process of 1,1-Dibutoxyacetone

There total 13 articles about 1,1-Dibutoxyacetone 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: 70.0%

dihydroxyacetone (96-26-4,26776-70-5) + butan-1-ol (71-36-3) → 1,1-dibutoxy-2-propanone (19255-82-4)

Guidance literature:

With Zn ion-modified sulfonic acid cation exchange resin catalyst; at 80 ℃; for 15h; under 600.06 - 3750.38 Torr;

Reference yield: 64.0%

2-ethoxyprop-2-enal (2648-49-9) + butan-1-ol (71-36-3) → 1,1-dibutoxy-2-propanone (19255-82-4)

Guidance literature:

With sulfuric acid; at 110 - 125 ℃; for 0.5h;

DOI:10.1007/BF00959215

Reference yield: 28.0%

2-butylsulfanylpropenal (63234-15-1) + butan-1-ol (71-36-3) → 1-butoxy-1-butylsulfanyl-propan-2-one + 1,1-dibutoxy-2-propanone (19255-82-4)

Guidance literature:

hydrogenchloride; at 20 ℃; for 24h;

DOI:10.1007/s11178-005-0249-0

upstream raw materials:

formaldehyd

2-oxopropanal

butan-1-ol

Propargylic aldehyde

Downstream raw materials:

4-methyl-5-butoxy1,3-oxazole

7-methylpterin

2-amino-6-methylpteridin-4(1H)-one

Refernces

• 1、 Keiko,Chuvashev,Stepanova,Larina. "Reactions of 2-butylsulfanyl-2-alkenals with alcohols and water". . p. 811 - 815. Retrieved 2005.
• 2、 Pescarmona, Paolo P.,Janssen, Kris P. F.,Delaet, Chloe,Stroobants, Christophe,Houthoofd, Kristof,Philippaerts, An,De Jonghe, Chantal,Paul, Johan S.,Jacobs, Pierre A.,Sels, Bert F.. "Zeolite-catalysed conversion of C3 sugars to alkyl lactates". experimental part. p. 1083 - 1089. Retrieved 2010/08/20.