Undecanal

Base Information

• Chemical Name: Undecanal
• CAS No.: 112-44-7
• Molecular Formula: C11H22 O
• Molecular Weight: 170.295
• Hs Code.: 2912190090
• European Community (EC) Number: 203-972-6
• NSC Number: 22578
• UNII: B6P0A9PSHN
• DSSTox Substance ID: DTXSID4021688
• Nikkaji Number: J61.748B
• Wikipedia: Undecanal
• Wikidata: Q7883008
• Metabolomics Workbench ID: 3462
• ChEMBL ID: CHEMBL1236576
• Mol file: 112-44-7.mol

Synonyms:undecanal;undecylic aldehyde

Chemical Property of Undecanal

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow liquid
• Vapor Pressure: 0.0832mmHg at 25°C
• Melting Point: -2oC
• Refractive Index: n20/D 1.4322(lit.)
• Boiling Point: 226.1°Cat760mmHg
• Flash Point: 96.1°C
• PSA: 17.07000
• Density: 0.825
• LogP: 3.71610
• Storage Temp.: Store below +30°C.
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble in dipropylene glycol, fixed oils, propylene glycol and water (14.27 mg/L at 25°C)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 170.167065321
• Heavy Atom Count: 12
• Complexity: 89

Purity/Quality:

99%, ^*data from raw suppliers

Undecanal >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CCCCCCCCCCC=O
• Uses: Undecanal is used as a pharmaceutical intermediate. Undecanal is a flavoring agent that is a liquid, colorless or pale yellow, with a sweet odor. it is soluble in most fixed oils, mineral oil, and propylene glycol; insoluble in glycerin. it is obtained by chemical synthesis. it is also termed aldehyde c-11 undecyclic and n-undecyl aldehyde. Perfumery, flavors.

Technology Process of Undecanal

There total 134 articles about Undecanal 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: 62.0%

1-dodecene (112-41-4,25067-08-7,62132-67-6) → dodecan-2-one (6175-49-1) + undecylaldehyde (112-44-7)

Guidance literature:

With oxygen; 1-butyl-3-methylimidazolium Tetrafluoroborate; copper(l) chloride; palladium dichloride; In water; at 60 ℃; for 48h;

DOI:10.1016/j.tetlet.2005.09.013

Reference yield:

cis-2-Methyl-7-octadecen (35354-39-3) → Dodecanal (112-54-9) + 6-methyl-heptanal (63885-09-6,117692-89-4) + 7-methyloctanal (49824-43-3) + undecylaldehyde (112-44-7)

Guidance literature:

Yield given. Multistep reaction. Further byproducts given. Title compound not separated from byproducts;

DOI:10.1007/BF00565169

Reference yield:

1-dodecene (112-41-4,25067-08-7,62132-67-6) → dodecan-2-one (6175-49-1) + Dodecanal (112-54-9) + undecylaldehyde (112-44-7)

Guidance literature:

With dinitrogen monoxide; at 250 ℃; for 7h; under 14221.4 Torr; Inert atmosphere;

upstream raw materials:

bromoundecane

undecyl alcohol

1-dodecene

2-hydroxydodecanoic acid

Downstream raw materials:

(E)-tridec-2-enoic acid

tetradecan-4-ol

undecyl alcohol

1-dodecene

Refernces

• 1、 Badi, Nezha,Guégan, Philippe,Legrand, Fran?ois-Xavier,Leclercq, Lo?c,Tilloy, Sébastien,Monflier, Eric. "β-Cyclodextrins modified by alkyl and poly(ethylene oxide) chains: A novel class of mass transfer additives for aqueous organometallic catalysis". . p. 8 - 14. Retrieved 2010.
• 2、 Dreimann, J. M.,Künnemann, K. U.,Lange, D.,Monflier, E.,Schurm, L.,Seidensticker, T.,Tilloy, S.,Vogt, D.. "Continuous hydroformylation of 1-decene in an aqueous biphasic system enabled by methylated cyclodextrins". . p. 3809 - 3819. Retrieved 2020.
• 3、 J?rke, Andreas,Seidel-Morgenstern, Andreas,Hamel, Christof. "Rhodium-BiPhePhos catalyzed hydroformylation studied by operando FTIR spectroscopy: Catalyst activation and rate determining step". . p. 10 - 14. Retrieved 2017.
• 4、 Inokuchi, Tsutomu,Matsumoto, Sigeaki,Fukushima, Mitsuhiro,Torii, Sigeru. "A New Oxidizing System for Aromatic Alcohols by the Combination of N-Oxoammonium Salt and Electrosynthesized Tetraalkylammonium Tribromide". . p. 796 - 800. Retrieved 1991.
• 5、 Burgstahler,A.W. et al.. "-". . p. 2918 - 2919. Retrieved 1963.
• 6、 Sandjo, Louis Pergaud,Tchoukoua, Abdou,Ntede, Hippolyte Nga,Yemloul, Mehdi,Perspicace, Enrico,Keumedjio, Felix,Couty, Francois,Kirsch, Gilbert,Ngadjui, Bonaventure Tchaleu. "New nortriterpenoid and ceramides from stems and leaves of cultivated Triumfetta cordifolia a rich (Tiliaceae)". . p. 1167 - 1177. Retrieved 2010.
• 7、 Kawazu,Alcantara,Kobayashi. "Isolation and structure of neoannonin, a novel insecticidal compound from the seeds of Annona squamosa". . p. 2719 - 2722. Retrieved 1989.
• 8、 Xiaozhong, Liu,Hongmei, Li,Fanzhi, Kong. "Polyether phosphine oxide induced phase separable homogeneous catalysis for hydroformylation of higher olefins". . p. 1 - 4. Retrieved 2002.
• 9、 Sakakura, Toshiyasu,Sasaki, Koushi,Tokunaga, Yuko,Wada, Keisuke,Tanaka, Masato. "Remarkable Effect of the Wavelength in the Photoassisted Carbonylation of the C-H Bond of Decane in the Presence of RhCl(CO)PR3)2 as the Catalyst". . p. 155 - 158. Retrieved 1988.
• 10、 Sturini, Michela,Soana, Federica,Albini, Angelo. "Reaction paths in the titanium dioxide photocatalysed degradation of dodecane and some of its derivatives". . p. 2943 - 2950. Retrieved 2002.