2-Propylheptan-1-al

Base Information

• Chemical Name: 2-Propylheptan-1-al
• CAS No.: 76058-49-6
• Molecular Formula: C10H20 O
• Molecular Weight: 156.268
• European Community (EC) Number: 278-366-8
• DSSTox Substance ID: DTXSID60997386
• Nikkaji Number: J319.167B
• Mol file: 76058-49-6.mol

Synonyms:2-propylheptanal;2-Propylheptan-1-al;76058-49-6;EINECS 278-366-8;2-propyl-heptanal;starbld0005319;SCHEMBL547296;DTXSID60997386;FEFNFOUJRMDJFO-UHFFFAOYSA-N;FT-0674100

Chemical Property of 2-Propylheptan-1-al

Chemical Property:

• Vapor Pressure: 0.276mmHg at 25°C
• Boiling Point: 203.5°C at 760 mmHg
• Flash Point: 70.7°C
• PSA: 17.07000
• Density: 0.816g/cm³
• LogP: 3.18190
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 88.9

Purity/Quality:

99% ^*data from raw suppliers

2-PROPYLHEPTANAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CCC)C=O

Technology Process of 2-Propylheptan-1-al

There total 13 articles about 2-Propylheptan-1-al 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: 71.6%

(E)-3-nonene (20063-92-7) + carbon monoxide (201230-82-2) → 2-ethyl-octanal (37596-38-6) + 2-(n-propyl)-heptanal (76058-49-6)

Guidance literature:

With zinc 5,10,15,20-tetraphenylporphyrin; tri(pyridin-3-yl)phosphine; acetylacetonatodicarbonylrhodium(l); In toluene; at 25 ℃; for 60h; under 15001.2 Torr;

DOI:10.1021/ja063294i

Reference yield:

pentanal (110-62-3) → 2-propylheptan-1-ol (10042-59-8) + pentan-1-ol (71-41-0) + 2-propylheptenal (34880-43-8) + 2-(n-propyl)-heptanal (76058-49-6)

Guidance literature:

With hydrogen; at 200 ℃; for 6h; under 22502.3 Torr; Autoclave;

DOI:10.1016/j.catcom.2020.106209

Reference yield:

pentanal (110-62-3) → 2-propylheptan-1-ol (10042-59-8) + pentan-1-ol (71-41-0) + 2-(n-propyl)-heptanal (76058-49-6)

Guidance literature:

pentanal; at 190 ℃; for 1.5h; Autoclave; Inert atmosphere;

With hydrogen; for 6h; under 15001.5 Torr; Pressure; Autoclave;

DOI:10.1039/d0ra03800h

upstream raw materials:

1-butylene

non-1-ene

carbon monoxide

cis,trans-2-nonylene

Downstream raw materials:

nonane

2-propyl heptanoic acid

Refernces

• 1、 Zhao, Lili,An, Hualiang,Zhao, Xinqiang,Wang, Yanji. "Effect of Ni/Co mass ratio and NiO-Co3O4loading on catalytic performance of NiO-Co3O4/Nb2O5-TiO2for direct synthesis of 2-propylheptanol from n -valeraldehyde". . p. 1736 - 1742. Retrieved 2021/01/20.
• 2、 -. "Mixed ester". . . Retrieved 2018/01/19.