Nonanal

Base Information

• Chemical Name: Nonanal
• CAS No.: 124-19-6
• Deprecated CAS: 918959-88-3
• Molecular Formula: C9H18O
• Molecular Weight: 142.241
• Hs Code.: 29121900
• European Community (EC) Number: 204-688-5
• NSC Number: 5518
• UN Number: 1993
• UNII: 2L2WBY9K6T
• DSSTox Substance ID: DTXSID9021639
• Nikkaji Number: J5.547F
• Wikipedia: Nonanal
• Wikidata: Q419668
• Metabolomics Workbench ID: 3438
• ChEMBL ID: CHEMBL2228376
• Mol file: 124-19-6.mol

Synonyms:n-nonylaldehyde;nonanal

Chemical Property of Nonanal

Chemical Property:

• Appearance/Colour: brown liquid
• Vapor Pressure: 0.532mmHg at 25°C
• Melting Point: -18oC
• Refractive Index: n20/D 1.424(lit.)
• Boiling Point: 190.778 °C at 760 mmHg
• Flash Point: 63.889 °C
• PSA: 17.07000
• Density: 0.816 g/cm³
• LogP: 2.93590
• Water Solubility.: Practically insoluble
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 69.1
• Transport DOT Label: Combustible Liquid

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:; S37/39:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CCCCCCCCC=O

Technology Process of Nonanal

There total 418 articles about Nonanal 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: 61.0%

1-Iodooctane (629-27-6) → nonan-1-al (124-19-6) + heptadecan-9-one (540-08-9)

Guidance literature:

In acetonitrile; Ambient temperature; electrochemical synthesis: divided cell, Pt plate electrodes, -2.30 V vs Ag/Ag(+), I as supporting electrolyte;

DOI:10.1039/p19960001873

Reference yield: 50.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + nonan-1-al (124-19-6) + dihydrogen peroxide (7722-84-1)

Guidance literature:

With oxygen; ozone; Mn(II)-Mn(III); In water; acetic acid; at 16 ℃;

Reference yield: 26.0%

oct-1-ene (111-66-0,25068-25-1) + carbon monoxide (201230-82-2) → nonan-1-al (124-19-6) + (E)-3-octene (14919-01-8) + trans-2-Octene (13389-42-9) + 2-methyl-1-octanal (49642-49-1,55352-42-6,72598-55-1,7786-29-0)

Guidance literature:

With hydrogen; N-ethyl-N,N-diisopropylamine; acetylacetonatodicarbonylrhodium(l); In decane; toluene; at 80 ℃; for 1h; under 15001.5 Torr; Further byproducts.;

DOI:10.1002/ejic.200700550

upstream raw materials:

tetrachloromethane

Elaidic acid

tetranitromethane

Nonanoyl chloride

Downstream raw materials:

1,1-dimethoxynonane

pelargonaldehyde diethyl acetal

rac-2-aminodecanoic acid

trans-2-undecenoic acid

Refernces

• 1、 Selent, Detlef,Baumann, Wolfgang,Wiese, Klaus-Diether,Boerner, Armin. "Diastereoisomeric bisphosphite ligands in the hydroformylation of octenes: Rhodium catalysis and HP-NMR investigations". . p. 6203 - 6205. Retrieved 2008.
• 2、 Song, Ki-Chang,Baek, Ji Yeon,Bae, Jung A,Yim, Jin-Heong,Ko, Young Soo,Kim, Do Heui,Park, Young-Kwon,Jeon, Jong-Ki. "Octene hydroformylation by using rhodium complexes tethered onto selectively functionalized mesoporous silica and in situ high pressure IR study". . p. 561 - 565. Retrieved 2011.
• 3、 Patnam, Padma L.,Bhatt, Mukesh,Singh, Raghuvir,Saran, Sandeep,Jain, Suman L.. "Magnetically separable chicken feathers: A biopolymer based heterogeneous catalyst for the oxidation of organic substrates". . p. 60888 - 60895. Retrieved 2016.
• 4、 Shirakawa,Shimizu,Sasaki. "Rhodium-catalyzed biphasic hydroformylation of 4-octene using water-soluble calix[4]arene-phosphine ligands". . p. 777 - 779. Retrieved 2001.
• 5、 Antonels, Nathan C.,Moss, John R.,Smith, Gregory S.. "Hydroformylation activity of multinuclear rhodium complexes coordinated to dendritic iminopyridyl and iminophosphine scaffolds". . p. 2003 - 2007. Retrieved 2011.
• 6、 Bolm, Carsten,Thomas, Fey. "TEMPO oxidations with a silica-supported catalyst". . p. 1795 - 1796. Retrieved 1999.
• 7、 Tsoy, A. A.,Korneeva, G. A.,Kayumov, F. F.,Grudtsyn, Yu. D.,Slivinskii, E. V.,et al.. "Hydroformylation of 1-octene in the presence of cobalt alkylidynecarbonyl clusters". . p. 1320 - 1326. Retrieved 1993.
• 8、 Sahoo, Mitarani,Parida. "Pd(II) loaded on diamine functionalized LDH for oxidation of primary alcohol using water as solvent". . p. 36 - 45. Retrieved 2013.
• 9、 Jin, Xin,Feng, Jianying,Ma, Qingqing,Song, Hongbing,Liu, Qiangqiang,Xu, Bingying,Zhang, Mei,Li, Shumei,Yu, Shitao. "Integration of a phosphine ligand into an ionic liquid: A highly effective biphasic system for the Rh-catalyzed hydroformylation of 1-octene". . p. 3267 - 3275. Retrieved 2019.
• 10、 Adams, Dave J.,Bennett, James A.,Cole-Hamilton, David J.,Hope, Eric G.,Hopewell, Jonathan,Kight, Jo,Pogorzelec, Peter,Stuart, Alison M.. "Rhodium catalysed hydroformylation of alkenes using highly fluorophilic phosphines". . p. 3862 - 3867. Retrieved 2005.