2-Butyloctanal

Base Information

• Chemical Name: 2-Butyloctanal
• CAS No.: 88015-70-7
• Molecular Formula: C12H24O
• Molecular Weight: 184.322
• DSSTox Substance ID: DTXSID10524888
• Mol file: 88015-70-7.mol

Synonyms:2-butyloctanal;2-butyl-1-octanal;88015-70-7;SCHEMBL729815;DTXSID10524888;KZWGHUQXRUISMZ-UHFFFAOYSA-N

Chemical Property of 2-Butyloctanal

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 184.182715385
• Heavy Atom Count: 13
• Complexity: 110

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CCCC)C=O

Technology Process of 2-Butyloctanal

There total 2 articles about 2-Butyloctanal 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:

(E)-2-Hexenal (6728-26-3) → 2-butyl-1-octanal (88015-70-7) + hexanal (66-25-1)

Guidance literature:

With hydrogen; In carbon dioxide; at 60 ℃; under 120012 Torr; Supercritical conditions;

DOI:10.1002/adsc.200700532

Reference yield:

1-penten (109-67-1) + carbon monoxide (201230-82-2) → (E)-2-butyloct-2-enal (64935-38-2) + 2-butyl-1-octanal (88015-70-7) + hexanal (66-25-1)

Guidance literature:

With (acetylacetonato)dicarbonylrhodium (l); hydrogen; L-Tryptophan; 9,9-dimethyl-2,7-bissulfonato-4,5-bis(diphenylphosphino)xanthene-sodium salt; at 100 ℃; for 16h; under 37503.8 Torr; Reagent/catalyst; Temperature; Autoclave; Green chemistry;

DOI:10.1039/d0gc03392h

Reference yield:

2-butyl-1-octanal (88015-70-7) → 2-(n-butyl)octanol (3913-02-8)

Guidance literature:

With glucose dehydrogenase; D-glucose; alcohol dehydrogenase rhodococcus sp.; NADPH; In methanol; aq. phosphate buffer; at 20 ℃; for 24h; pH=7; Solvent; Inert atmosphere; Enzymatic reaction;

DOI:10.1002/cctc.201501241

upstream raw materials:

(E)-2-Hexenal

1-penten

carbon monoxide

Downstream raw materials:

2-(n-butyl)octanol

Refernces

• 1、 Seki, Tsunetake,Grunwaldt, Jan-Dierk,Van Vegten, Niels,Baiker, Alfons. "Palladium supported on an acidic resin: A unique bifunctional catalyst for the continuous catalytic hydrogenation of organic compounds in supercritical carbon dioxide". body text. p. 691 - 705. Retrieved 2009/04/12.