2,3,4-Trimethylpentanal

Base Information

• Chemical Name: 2,3,4-Trimethylpentanal
• CAS No.: 3601-65-8
• Molecular Formula: C8H16 O
• Molecular Weight: 128.214
• Hs Code.: 2912190090
• European Community (EC) Number: 222-755-7
• DSSTox Substance ID: DTXSID80957427
• Nikkaji Number: J205.529E
• Mol file: 3601-65-8.mol

Synonyms:2,3,4-trimethylpentanal;2,3,4-Trimethylvaleraldehyde;3601-65-8;EINECS 222-755-7;SCHEMBL11565699;DTXSID80957427

Chemical Property of 2,3,4-Trimethylpentanal

Chemical Property:

• Vapor Pressure: 3.82mmHg at 25°C
• Boiling Point: 150.6°Cat760mmHg
• Flash Point: 46.2°C
• PSA: 17.07000
• Density: 0.806g/cm³
• LogP: 2.11350
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 86.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)C(C)C=O

Technology Process of 2,3,4-Trimethylpentanal

There total 5 articles about 2,3,4-Trimethylpentanal 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:

2,2,4-trimethylpentan-1,3-diol (144-19-4) + triethyl phosphate (78-40-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2,2,4,4-Tetramethyltetrahydrofuran (3358-28-9) + 2,3,4,4-Tetramethyl-tetrahydro-furan (102369-79-9) + 2,3,4-trimethyl-pentanal (3601-65-8)

Guidance literature:

DOI:10.1021/ja01547a035

Reference yield:

2,2,4-trimethylpentan-1,3-diol (144-19-4) → 2,4-dimethyl-2-pentene (625-65-0) + 2,3,4-trimethyl-pentanal (3601-65-8)

Guidance literature:

With sulfuric acid; Further byproducts given; Heating;

Reference yield:

2,2,4-trimethylpentan-1,3-diol (144-19-4) → 2,3,4-trimethyl-pentanal (3601-65-8)

Guidance literature:

With triethyl phosphate; benzene; at 250 ℃;

DOI:10.1021/ja01547a035

upstream raw materials:

2,2,4-trimethylpentan-1,3-diol

triethyl phosphate

benzene

ethyl 2,2,4-trimethyl-3-hydroxyvalerate

Downstream raw materials:

2,3,4-trimethyl-1-pentanol

2,3,4-trimethylvaleric acid

3,4,5-Trimethyl-1-hexen

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