2-Propylvaleraldehyde

Base Information

• Chemical Name: 2-Propylvaleraldehyde
• CAS No.: 18295-59-5
• Molecular Formula: C8H16 O
• Molecular Weight: 128.214
• Hs Code.: 2912190090
• European Community (EC) Number: 242-173-7
• DSSTox Substance ID: DTXSID20171362
• Nikkaji Number: J266.104G
• Wikidata: Q83041441
• Mol file: 18295-59-5.mol

Synonyms:2-Propylpentanal;18295-59-5;2-Propylvaleraldehyde;2-PROPYL VALERALDEHYDE;Pentanal, 2-propyl-;2-Propyl Pentyraldehyde;2-propyl-pentanal;EINECS 242-173-7;MFCD02094289;2-propyl pentanal;PROPYLPENTANAL;2-n-propylvaleraldehyde;2-propyl-1-pentaldehyde;2-Propylpentanal, AldrichCPR;SCHEMBL514688;DTXSID20171362;AKOS006276286;FT-0674115;EN300-199258

Chemical Property of 2-Propylvaleraldehyde

Chemical Property:

• Vapor Pressure: 2.11mmHg at 25°C
• Melting Point: 13.5°C (estimate)
• Refractive Index: 1.4142
• Boiling Point: 78-81°C@150mm Hg
• Flash Point: 46.2°C
• PSA: 17.07000
• Density: 0.809g/cm³
• LogP: 2.40170
• Storage Temp.: Refrigerator
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 63

Purity/Quality:

99% ^*data from raw suppliers

2-Propyl Valeraldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)C=O
• Uses: An interesting synthetic intermediate

Technology Process of 2-Propylvaleraldehyde

There total 16 articles about 2-Propylvaleraldehyde 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: 81.0%

epoxy-1,2 propyl-2 pentane (98560-25-9) → 2-propylpentanal (18295-59-5)

Guidance literature:

With boron trifluoride diethyl etherate; In benzene; at 5 ℃; for 0.0166667h;

DOI:10.1021/jm00173a010

Reference yield: 65.0%

Formic acid 2-propyl-pent-1-enyl ester (113388-47-9) → 2-propylpentanal (18295-59-5)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; for 24h; Ambient temperature;

DOI:10.1016/S0040-4020(01)86890-3

Reference yield:

meso-2,6-octadiene-4,5-diol (1086238-40-5) → octan-4-one (589-63-9) + 2-propylpentanal (18295-59-5)

Guidance literature:

With sulfuric acid; folgendes Hydrieren an Raney-Nickel;

upstream raw materials:

4-ethoxymethyl-heptan-4-ol

meso-2,6-octadiene-4,5-diol

oxalic acid

trans-2,3-dipropyl-oxirane

Downstream raw materials:

valproic acid

1-methoxy-4-(2-propyl-1-penten-1-yl)benzene

4,4-dipropylcyclohex-2-en-1-one

4-propyl-2-(2-trityl-2H-tetrazol-5-yl)-hept-2-enenitrile