1-Dodecanal

Base Information

• Chemical Name: 1-Dodecanal
• CAS No.: 112-54-9
• Molecular Formula: C12H24O
• Molecular Weight: 184.322
• Hs Code.: 2912.19
• European Community (EC) Number: 203-983-6
• NSC Number: 55212,52196,46128
• UNII: C42O120SEF
• DSSTox Substance ID: DTXSID6021589
• Nikkaji Number: J22.116C
• Wikipedia: Dodecanal
• Wikidata: Q5287808
• Metabolomics Workbench ID: 3469
• ChEMBL ID: CHEMBL2228373
• Mol file: 112-54-9.mol

Synonyms:Lauraldehyde(8CI);1-Dodecanal;Dodecanaldehyde;Lauric aldehyde;Laurinaldehyde;Lauryl aldehyde;NSC 46128;NSC 52196;NSC 55212;n-Dodecanal;n-Dodecyl aldehyde;n-Lauraldehyde;

Chemical Property of 1-Dodecanal

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.0344mmHg at 25°C
• Melting Point: 12 °C
• Refractive Index: 1.432 - 1.438
• Boiling Point: 242.2 °C at 760 mmHg
• Flash Point: 102 °C
• PSA: 17.07000
• Density: 0.823 g/cm³
• LogP: 4.10620
• Water Solubility.: insoluble
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 184.182715385
• Heavy Atom Count: 13
• Complexity: 99.3

Purity/Quality:

98%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi, N
• Hazard Codes: Xi:Irritant;; <
• Statements: R38:; R51/53:
• Safety Statements: S29:; S37:; S61:

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Dodecanal

There total 177 articles about 1-Dodecanal 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: 63.0%

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

Guidance literature:

With bis(benzonitrile)palladium(II) dichloride; silver(I) nitrite; copper(II) choride dihydrate; nitromethane; Tridecane; oxygen; tert-butyl alcohol; at 20 ℃; for 6h; under 760.051 Torr; Reagent/catalyst; Temperature; Concentration; Overall yield = 80 %;

DOI:10.1002/anie.201306756

Reference yield: 50.0%

1-dodecyne (765-03-7) → dodecan-2-one (6175-49-1) + Dodecanal (112-54-9)

Guidance literature:

With water; RuCl₂(C₆H₆)(PPh₂(C₆F₅)); (pentafluorophenyl)diphenylphosphine; In isopropyl alcohol; at 80 ℃; for 7h;

DOI:10.1002/(SICI)1521-3773(19981102)37:20<2867::AID-ANIE2867>3.0.CO;2-E

Reference yield: 3.0%

Decyl-oxiran (2855-19-8) → dodecan-2-one (6175-49-1) + Dodecanal (112-54-9) + 1-iodo-2-dodecanol

Guidance literature:

manganese(II) iodide; In tetrahydrofuran; at 70 ℃; for 2h;

DOI:10.1016/0022-328X(85)87389-7

upstream raw materials:

lauric acid

formic acid

n-dodecanoyl chloride

1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione

Downstream raw materials:

3-tetradecanol

5-hexadecanol

1-nitrotridecan-2-ol

tetradec-2-enoic acid

Refernces

• 1、 Santos, Isabel C. M. S.,Sim?es, Mário M. Q.,Balula, M. Salete S.,Neves, M. Gra?a P. M. S.,Cavaleiro, José A. S.,Cavaleiro, Ana M. V.. "A new insight into the oxidation of cyclododecane with hydrogen peroxide in the presence of iron-substituted polyoxotungstates". . p. 1623 - 1626. Retrieved 2008.
• 2、 Nishiguchi, Takeshi,Ohosima, Tatsuya,Nishida, Akiko,Fujisaki, Shizuo. "Conversion of Ketals to Ketones by Nitrogen Dioxide in the Presence of Silica Gel". . p. 1121 - 1122. Retrieved 1995.
• 3、 Khan, Abu T.,Mondal, Ejabul,Sahu, Priti R.. "A highly efficient procedure for regeneration of carbonyl groups from their corresponding oxathioacetals and dithioacetals using sodium nitrite and acetyl chloride in dichloromethane". . p. 377 - 381. Retrieved 2003.
• 4、 Mondal,Bose,Khan. "An expedient and efficient method for the cleavage of dithioacetals to the corresponding carbonyl compounds using organic ammonium tribromide (OATB)". . p. 785 - 786. Retrieved 2001.
• 5、 Damico,R.,Broaddus,C.D.. "-". . p. 1607 - 1612. Retrieved 1966.
• 6、 Raju,Khan, Zaheer. "Kinetics of the MnO4- oxidation of anionic surfactant (sodiumdodecyl sulphate): Evidence for the formation of soluble colloidal MnO2". . p. 1218 - 1222. Retrieved 2005.
• 7、 Brown, Herbert C.,Kulkarni, Surendra U.,Rao, C. Gundu. "Highly Selective Conversion of Terminal Olefins into Aldehydes". . p. 151 - 153. Retrieved 1980.
• 8、 Hu, Caijuan,Li, Guoxun,Mu, Yu,Wu, Wenxi,Cao, Bixuan,Wang, Zixuan,Yu, Hainan,Guan, Peipei,Han, Li,Li, Liya,Huang, Xueshi. "Discovery of Anti-TNBC Agents Targeting PTP1B: Total Synthesis, Structure-Activity Relationship, in Vitro and in Vivo Investigations of Jamunones". . p. 6008 - 6020. Retrieved 2021/05/06.
• 9、 Liang, Zhengyong,Wei, Tong,Xie, Jun,Li, Hua,Liu, Hui. "Direct conversion of terminal alkenes to aldehydes via ozonolysis reaction in rotating zigzag bed". . p. 2379 - 2384. Retrieved 2020/05/25.