2-Undecanone

Base Information

• Chemical Name: 2-Undecanone
• CAS No.: 112-12-9
• Molecular Formula: C11H22O
• Molecular Weight: 170.295
• Hs Code.: 2914.19 Oral rat LD50: 5000 mg/kg
• European Community (EC) Number: 203-937-5
• NSC Number: 4028
• UNII: YV5DSO8CY9
• DSSTox Substance ID: DTXSID2021943
• Nikkaji Number: J5.119E
• Wikipedia: 2-Undecanone
• Wikidata: Q2024187
• Metabolomics Workbench ID: 5408
• ChEMBL ID: CHEMBL1236582
• Mol file: 112-12-9.mol

Synonyms:2-undecanone;BioUD;methyl nonyl ketone;undecan-2-one

Chemical Property of 2-Undecanone

Chemical Property:

• Appearance/Colour: colorless to pale yellow liquid
• Vapor Pressure: <1 mm Hg ( 20 °C)
• Melting Point: 11-13 °C(lit.)
• Refractive Index: 1.4291
• Boiling Point: 230.8 °C at 760 mmHg
• Flash Point: 88.9 °C
• PSA: 17.07000
• Density: 0.821 g/cm³
• LogP: 3.71610
• Storage Temp.: Store below +30°C.
• Water Solubility.: INSOLUBLE
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 170.167065321
• Heavy Atom Count: 12
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

2-Undecanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 51/53-50/53
• Safety Statements: 23-24/25-61-60

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Ketones (
• Canonical SMILES: CCCCCCCCCC(=O)C
• Physical properties: Methyl nonyl ketone (MNK) is a clear mobile liquid, with a strong characteristic smell at room temperature that presents a vapour pressure of 11.8 Pascals at 20° C. It has a very low solubility in water and high solubility in organic solvents such as n-heptane, p-xylene, 1,2-dichloroethane, methanol, acetone and ethyl acetate. MNK is not considered highly flammable or explosive or oxidizing.
• Uses: In the compounding of some synthetic essential oils. As fragrance additive in soaps, detergents, creams, lotions, and perfume. As dog and cat repellant. 2-Undecanone may be used as an analytical reference standard for the quantification of the analyte in milk samples and Houttuynia cordata Thunb using gas chromatography (GC) technique.

Technology Process of 2-Undecanone

There total 127 articles about 2-Undecanone 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: 97.0%

4-((Z)-2-Methyl-undec-1-enyl)-morpholine → 4-morpholinecarboxaldehyde (4394-85-8) + methyl nonyl ketone (112-12-9)

Guidance literature:

With oxygen; Cu-X zeolite; In 1,2-dichloro-ethane; acetonitrile; at 50 ℃; for 5h;

DOI:10.1039/b001515f

Reference yield: 84.0%

4-(2-methyl-undec-1-enyl)-morpholine (28478-28-6) → 4-morpholinecarboxaldehyde (4394-85-8) + methyl nonyl ketone (112-12-9)

Guidance literature:

With aluminum oxide; potassium permanganate; neutral; In acetone; for 4h; Ambient temperature;

DOI:10.1016/S0040-4039(96)02504-X

Reference yield: 68.0%

oct-1-ene (111-66-0,25068-25-1) + acetone (67-64-1) → 3-n-octylundecan-2-one (89185-87-5) + methyl nonyl ketone (112-12-9) + 10-Nonadecanon (504-57-4) + 5-n-hexyltridecan-2-one

Guidance literature:

With sodium persulfate; silver nitrate; In water; for 7h; Heating;

upstream raw materials:

lauric acid

undecan-2-ol

undec-2-yne

2-dodecynoic acid

Downstream raw materials:

undecan-2-ol

Caprylsaeure-2-undecylester

3-methyldodec-2-enenitrile

3-methyldodec-2-enenitrile

Refernces

• 1、 Anderson, Brian J.,Keith, John A.,Sigman, Matthew S.. "Experimental and computational study of a direct O2-coupled wacker oxidation: Water dependence in the absence of Cu salts". . p. 11872 - 11874. Retrieved 2010.
• 2、 Ghammamy,Hashemzadeh,Mazareey. "Triethylammonium fluorochromate - A new, mild, stable, and inexpensive chromium(VI) oxidant". . p. 1752 - 1754. Retrieved 2005.
• 3、 Hashimoto, Kentaro,Kitaichi, Yasunori,Tanaka, Hirotaka,Ikeno, Taketo,Yamada, Tohru. "Nitrous oxide oxidation of secondary and benzylic alcohols using ruthenium complex catalyst". . p. 922 - 923. Retrieved 2001.
• 4、 Mahyari, Mojtaba,Shaabani, Ahmad,Behbahani, Mohammad,Bagheri, Akbar. "Thiol-functionalized fructose-derived nanoporous carbon as a support for gold nanoparticles and its application for aerobic oxidation of alcohols in water". . p. 576 - 583. Retrieved 2014.
• 5、 Kirihara, Masayuki,Ochiai, Yuta,Arai, Nobuka,Takizawa, Shinobu,Momose, Takefumi,Nemoto, Hideo. "Aerobic deprotection of monothioacetals catalyzed by trichlorooxyvanadium". . p. 9055 - 9057. Retrieved 1999.
• 6、 Gritter,Wallace. "". . p. 282. Retrieved 1961.
• 7、 Liu, Hsing-Jang,Wiszniewski, Virginia. "A NEW PROCEDURE FOR DETHIOACETALIZATION". . p. 5471 - 5474. Retrieved 1988.
• 8、 Sharma, Sumeet K.,Parikh, Parimal A.,Jasra, Raksh V.. "Hydroformylation of alkenes using heterogeneous catalyst prepared by intercalation of HRh(CO)(TPPTS)3 complex in hydrotalcite". . p. 153 - 162. Retrieved 2010.
• 9、 Ballini, Roberto,Fiorini, Dennis,Maggi, Raimondo,Oro, Chiara,Palmieri, Alessandro,Sartori, Giovanni. "SiO2-TBD as new heterogeneous catalyst for the nef conversion of secondary nitroalkanes under neat conditions". . p. 1849 - 1850. Retrieved 2006.
• 10、 Hirashita, Tsunehisa,Nakanishi, Makoto,Uchida, Tomoya,Yamamoto, Masakazu,Araki, Shuki,Arends, Isabel W. C. E.,Sheldon, Roger A.. "Ionic TEMPO in Ionic Liquids: Specific Promotion of the Aerobic Oxidation of Alcohols". . p. 2704 - 2709. Retrieved 2016.