2,2-Dimethylbutanal

Base Information

• Chemical Name: 2,2-Dimethylbutanal
• CAS No.: 2094-75-9
• Molecular Formula: C6H12 O
• Molecular Weight: 100.161
• Hs Code.: 2912190090
• European Community (EC) Number: 806-358-1
• DSSTox Substance ID: DTXSID90175110
• Nikkaji Number: J441.116A
• Wikidata: Q83045361
• Mol file: 2094-75-9.mol

Synonyms:2,2-Dimethylbutanal;2094-75-9;Butanal, 2,2-dimethyl-;2,2-dimethylbutyraldehyde;2,2-dimethyl-butyraldehyde;2,2-Dimethylbutanal #;2,2-dimethyl butyraldehyde;SCHEMBL123788;2,2-Dimethylbutanal, AldrichCPR;DTXSID90175110;MFCD00055628;AKOS012322190;EN300-91173

Chemical Property of 2,2-Dimethylbutanal

Chemical Property:

• Melting Point: -72.5°C (estimate)
• Refractive Index: 1.3980
• Boiling Point: 110.7°Cat760mmHg
• Flash Point: 6.4°C
• PSA: 17.07000
• Density: 0.801g/cm³
• LogP: 1.62150
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 100.088815002
• Heavy Atom Count: 7
• Complexity: 64.6

Purity/Quality:

98%min ^*data from raw suppliers

2,2-Dimethylbutanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 11-22-41
• Safety Statements: 16-26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)C=O

Technology Process of 2,2-Dimethylbutanal

There total 3 articles about 2,2-Dimethylbutanal 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:

N-formyldiethylamine (617-84-5) + 1,1-dimethylpropylmagnesium chloride (28276-08-6) → 2-methyl-but-2-ene (513-35-9) + 2,2-dimethylbutyraldehyde (2094-75-9)

Guidance literature:

Reference yield:

formic acid (64-18-6) + 3-butyloxy-2-methyl-pentanol-(2) (695194-61-7) → ethyl isopropyl ketone (565-69-5) + 2,2-dimethylbutyraldehyde (2094-75-9)

Guidance literature:

Reference yield:

formic acid (64-18-6) + 3-ethoxy-2-methyl-pentan-2-ol (99798-97-7) → ethyl isopropyl ketone (565-69-5) + 2,2-dimethylbutyraldehyde (2094-75-9)

Guidance literature:

upstream raw materials:

formic acid

3-ethoxy-2-methyl-pentan-2-ol

3-butyloxy-2-methyl-pentanol-⁽²⁾

N-formyldiethylamine

Downstream raw materials:

2,2-Dimethyl-1-butanol

isopropyl-tert-pentyl-carbinol

2,2-dimethylbutyric acid

5-tert-pentyl-isophthalic acid