8-Hydroxyoctanal

Base Information

• Chemical Name: 8-Hydroxyoctanal
• CAS No.: 22054-14-4
• Molecular Formula: C8H16O2
• Molecular Weight: 144.214
• DSSTox Substance ID: DTXSID30459345
• Nikkaji Number: J1.621.141I
• Wikidata: Q82283093
• Mol file: 22054-14-4.mol

Synonyms:8-hydroxyoctanal;22054-14-4;Octanal, 8-hydroxy-;SCHEMBL1958838;DTXSID30459345;KXUYLUMVUPFPKD-UHFFFAOYSA-N;EN300-1697883

Chemical Property of 8-Hydroxyoctanal

Chemical Property:

• Boiling Point: 233.4±23.0 °C(Predicted)
• PSA: 37.30000
• Density: 0.927±0.06 g/cm3(Predicted)
• LogP: 1.51820
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 71.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCC=O)CCCO

Technology Process of 8-Hydroxyoctanal

There total 3 articles about 8-Hydroxyoctanal 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: 83.0%

8-bromooctanol (50816-19-8) → 1,8-Octanediol (629-41-4) + 8-hydroxyoctanal (22054-14-4)

Guidance literature:

With 4-methylmorpholine N-oxide; In dimethyl sulfoxide; at 20 ℃; for 65.5h;

Reference yield: 58.0%

1,8-Octanediol (629-41-4) → 1,8-octanedial (638-54-0) + 8-hydroxyoctanal (22054-14-4) + 7-formylheptanoic acid (929-48-6)

Guidance literature:

With Iron(III) nitrate nonahydrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen; sodium chloride; In 1,2-dichloro-ethane; at 25 ℃; for 12h;

DOI:10.1021/jacs.6b03948

Reference yield:

oxonan-2-one (5698-29-3) → 8-hydroxy-octanal cyclohemiacetal (143211-13-6) + 1,8-Octanediol (629-41-4) + 8-hydroxyoctanal (22054-14-4)

Guidance literature:

oxonan-2-one; With diisobutylaluminium hydride; In toluene; at -78 ℃; for 2h;

With water; In toluene; at -78 ℃; for 18h;

upstream raw materials:

8-bromooctanol

oxonan-2-one

1,8-Octanediol

Downstream raw materials:

10-hydroxy 8-decenoic acid ethyl ester

(E)-10-hydroxy-dec-2-enoic acid

10-hydroxy-2-decenoic acid

Refernces

• 1、 -. "Novel Method for Preparing Unsaturated Fatty Hydroxyacids". Page/Page column 11. . Retrieved 2008/12/08.