1-Dodecene

Base Information

• Chemical Name: 1-Dodecene
• CAS No.: 112-41-4
• Molecular Formula: C12H24
• Molecular Weight: 168.323
• Hs Code.: 2901299090
• European Community (EC) Number: 203-968-4
• ICSC Number: 1567
• NSC Number: 12016
• UN Number: 3295
• UNII: WYE669F3GR
• DSSTox Substance ID: DTXSID5026914
• Nikkaji Number: J43.534A
• Wikipedia: 1-Dodecene
• Wikidata: Q161620
• Metabolomics Workbench ID: 5011
• ChEMBL ID: CHEMBL1872885
• Mol file: 112-41-4.mol

Synonyms:1-DODECENE;Dodec-1-ene;112-41-4;DODECENE;Adacene 12;Dodecene-1;n-Dodec-1-ene;Dodecylene;alpha-Dodecene;alpha-Dodecylene;25378-22-7;.alpha.-Dodecene;.alpha.-Dodecylene;NSC 12016;HSDB 1076;UNII-WYE669F3GR;EINECS 203-968-4;WYE669F3GR;Neodene 12;Dodecylene .alpha.-;DTXSID5026914;CHEBI:89713;MFCD00008961;NSC-12016;DODECENE, 1-;DTXCID306914;HSDB 2793;EC 203-968-4;EINECS 246-922-9;1-Dodecene, 95%;EC 246-922-9;68526-58-9;N-Dodec-1-Ene A-Dodecylene;n-dodecene-1;CAS-112-41-4;n-dodecene;1-Dodeceno;.Alfa.-Dodeceno;Linealene 12;dodec-11-ene;Neodene Shop C12;Dialen 12;N-cis-1-eno;Neodene C 12;DODECENE [INCI];ADACENE-12;1-DODECENE [HSDB];LAO-C 12;1-Dodecene (standard material);1-Dodecene, analytical standard;CHEMBL1872885;NSC12016;EINECS 271-215-7;Tox21_201382;Tox21_303303;1-Dodecene, >=99.0% (GC);LMFA11000313;AKOS015904161;CS-W017788;1-Dodecene, technical, >=90% (GC);NCGC00164290-01;NCGC00164290-02;NCGC00257096-01;NCGC00258933-01;BS-14425;LS-63547;D0974;FT-0607712;S0342;EN300-99514;D70997;A802575;Q161620;J-002769

Chemical Property of 1-Dodecene

Chemical Property:

• Appearance/Colour: colorless clear liquid
• Vapor Pressure: 0.234mmHg at 25°C
• Melting Point: -35 °C(lit.)
• Refractive Index: n20/D 1.429(lit.)
• Boiling Point: 213.9 °C at 760 mmHg
• Flash Point: 77.8 °C
• PSA: 0.00000
• Density: 0.759 g/cm³
• LogP: 4.70320
• Water Solubility.: 0.12 mg l-1 (e)
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 168.187800766
• Heavy Atom Count: 12
• Complexity: 84
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCCCCCCCCCC=C
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.
• Effects of Short Term Exposure: If swallowed the substance easily enters the airways and could result in aspiration pneumonitis.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.

Technology Process of 1-Dodecene

There total 307 articles about 1-Dodecene 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:

carbon monoxide (201230-82-2) → 1-Heptene (592-76-7) + 1-hexene (592-41-6,25067-06-5) + non-1-ene (124-11-8) + 1-dodecene (112-41-4,25067-08-7,62132-67-6) + methane (34557-54-5,27936-85-2) + 1-penten (109-67-1) + oct-1-ene (111-66-0,25068-25-1) + 1-Decene (872-05-9,17438-89-0,25189-70-2) + 1-undecene (821-95-4) + 1-tridecene (2437-56-1) + carbon dioxide (124-38-9,18923-20-1)

Guidance literature:

With hydrogen; at 340 ℃; for 98h; under 11251.1 Torr; Reagent/catalyst; Time; Catalytic behavior; Autoclave;

DOI:10.1016/j.apcata.2018.07.037

Reference yield:

di(n-dodecyl) selenoxide (45293-47-8) → 1-dodecene (112-41-4,25067-08-7,62132-67-6) + di(n-dodecyl) selenide (5819-01-2) + water (7732-18-5)

Guidance literature:

at 175 ℃; beim Destillieren unter vermindertem Druck; weitere Produkte: CO₂, Selen und Didodecyldiselenid(?);

Reference yield:

ethene (74-85-1) → 1-hexene (592-41-6,25067-06-5) + 1-dodecene (112-41-4,25067-08-7,62132-67-6) + oct-1-ene (111-66-0,25068-25-1) + 1-Decene (872-05-9,17438-89-0,25189-70-2) + methylenecyclopentane (1528-30-9) + methyl-cyclopentane (96-37-7) + n-propylcyclopentane (2040-96-2) + n-pentylcyclopentane (3741-00-2) + heptylcyclopentane (5617-42-5) + allylcyclopentane (3524-75-2) + 7-cyclopentyl-1-heptene (51255-64-2) + C10H18

Guidance literature:

With chromium(III) acetylacetonate; 2-(diphenylphosphino)-3-methylphosphinine; In chlorobenzene; at 60 ℃; for 0.5h; Reagent/catalyst; Schlenk technique;

DOI:10.1021/acs.organomet.8b00063

upstream raw materials:

diethyl ether

1-Iodododecane

laurylmagnesium bromide

dodecyl hexadecanoic acid ester

Downstream raw materials:

Decyl-oxiran

1,2-O-diacetyl dodecanediol-1,2

2-phenyldodecane

dodecyl(dimethyl)phosphine oxide

Refernces

• 1、 Takai, Kazuhiko,Sakamoto, Shuji,Isshiki, Takahiko,Kokumai, Tatsuya. "Formal hydrochromination of alkynes under nickel catalysis. Regioselective reductive coupling of alkynes and aldehydes leading to allylic alcohols". . p. 7534 - 7539. Retrieved 2006.
• 2、 Adiyaman, Mustafa,Jung, Young-Ju,Kim, Seongjin,Saha, Goutam,Powell, William S.,FitzGerald, Garret A.,Rokach, Joshua. "A new method for the preparation of olefins from vicinal diols". . p. 4019 - 4022. Retrieved 1999.
• 3、 Clark, James H.,Hyde, Andrew J.,Smith, David K.. "Calcium Fluoride-supported Alkali Metal Fluorides. New Reagents for Nucleophilic Fluorine Transfer Reactions". . p. 791 - 793. Retrieved 1986.
• 4、 Gupta, Lekha,Ramirez, Antonio,Collum, David B.. "Reaction of lithium diethylamide with an alkyl bromide and alkyl benzenesulfonate: Origins of alkylation, elimination, and sulfonation". . p. 8392 - 8399. Retrieved 2010.
• 5、 Tour, James M.,Bedworth, Peter V.,Wu, Ruilian. "A ZIRCONIUM-PROMOTED METHYLENATION OF ALDEHYDES, KETONES, AND ENONES". . p. 3927 - 3930. Retrieved 1989.
• 6、 Matsukawa, Mihaya,Tabuchi, Takanori,Inanaga, Junji,Yamaguchi, Masaru. "SmI2-Induced Deoxygenation of Epoxides and Its Application to Carbonyl Methylenation in Combination with Iodomethylation". . p. 2101 - 2102. Retrieved 1987.
• 7、 Kasatkin, Aleksandr,Whitby, Richard J.. "Insertion of 1-chloro-1-lithioalkenes into organozirconocenes. A versatile synthesis of stereodefined unsaturated systems". . p. 7039 - 7049. Retrieved 1999.
• 8、 Julia, Marc,Lauron, Helene,Verpeaux, Jean-Noel. "Reactions of cyclopentadienyl(phosphine)-(α-benzenesulfonylalkyl)nickel complexes; formation of aldehydes and alkenes from sulfones". . p. 365 - 372. Retrieved 1990.
• 9、 Sevrin, M.,Denis, J. N.,Krief, A.. "OLEFIN SYNTHESIS BY REDUCTIVE ELIMINATION OF β-HETEROSUBSTITUTED ALKYLHALIDES". . p. 1877 - 1880. Retrieved 1980.
• 10、 Capozzoli, Laura,Evangelisti, Claudio,Frediani, Marco,Mohammadi Dehcheshmeh, Iman,Najafi Moghadam, Peyman,Oberhauser, Werner,Poggini, Lorenzo. "Selective Alkyne Semi-Hydrogenation by PdCu Nanoparticles Immobilized on Stereocomplexed Poly(lactic acid)". . . Retrieved 2022/03/01.