Dodecane

Base Information

• Chemical Name: Dodecane
• CAS No.: 112-40-3
• Molecular Formula: C12H26
• Molecular Weight: 170.338
• Hs Code.: 2901100000
• European Community (EC) Number: 203-967-9
• NSC Number: 8714
• UN Number: 1993
• UNII: 11A386X1QH
• DSSTox Substance ID: DTXSID0026913
• Nikkaji Number: J1.995J
• Wikipedia: Dodecane
• Wikidata: Q150744
• RXCUI: 1314271
• Metabolomics Workbench ID: 4709
• ChEMBL ID: CHEMBL30959
• Mol file: 112-40-3.mol

Synonyms:dodecane;n-dodecane

Chemical Property of Dodecane

Chemical Property:

• Appearance/Colour: colourless liquid
• Melting Point: -9.6 °C(lit.)
• Refractive Index: n20/D 1.421(lit.)
• Boiling Point: 216.1 °C at 760 mmHg
• Flash Point: 71.1 °C
• PSA: 0.00000
• Density: 0.751 g/cm³
• LogP: 4.92720
• Water Solubility.: <0.1 g/100 mL at 25℃
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 170.203450829
• Heavy Atom Count: 12
• Complexity: 56.4
• Transport DOT Label: Combustible Liquid

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R65:; R66:
• Safety Statements: S36:; S60:; S62:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCCCCCCC

Technology Process of Dodecane

There total 369 articles about Dodecane 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: 51.0%

2-methyl-2-octyl hypochlorite (82014-26-4) → 2,2-dimethyl-5-propyl-tetrahydro-furan (68705-91-9) + dodecane (112-40-3) + 1-Chlorohexane (544-10-5) + 5-Chloro-2-methyl-octan-2-ol (82004-71-5)

Guidance literature:

With sodium hydrogencarbonate; iron(II) sulfate; In tetrachloromethane; Further byproducts given; Ambient temperature; in the dark;

DOI:10.1016/0040-4020(81)85021-1

Reference yield: 8.59%

tri(octadecyl)aluminium (3041-23-4) + ethene (74-85-1) + trioctylaluminum (1070-00-4) → octane (111-65-9) + decane (124-18-5) + dodecane (112-40-3) + icosane (112-95-8) + n-docosane (629-97-0) + n-hexacosane (630-01-3) + hexane (110-54-3) + tetradecane (629-59-4) + Hexadecane (544-76-3) + octadecane (593-45-3) + tetracosane (646-31-1) + octacosane (630-02-4) + n-triacontane (638-68-6)

Guidance literature:

tri(octadecyl)aluminium; ethene; trioctylaluminum; In toluene; at 20 - 116 ℃; for 2.33333h; under 26252.6 - 42004.2 Torr;

With sulfuric acid; water; at 40 ℃;

Reference yield:

3-trimethylsilyloxy-2-pentene (17510-47-3) + isobutyryl chloride (79-30-1) → dodecane (112-40-3) + 2,4-dimethyl-heptane-3,5-dione (37484-68-7) + diethyl ketone enol isobutyrate (83710-44-5)

Guidance literature:

With zinc(II) chloride; In diethyl ether; dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/jo00147a011

upstream raw materials:

lauric acid

diethyl ether

di-tert-butyl peroxide

n-hexylmagnesium bromide

Downstream raw materials:

decane

3,4-dimethylhexane

3-methyl-octane

3-methyl-hexane

Refernces

Formation of gels and liquid crystals induced by Pt...Pt and π-π* interactions in luminescent σ-alkynyl platinum(II) terpyridine complexes

10.1002/anie.200604012

The research investigates the self-assembly processes of luminescent platinum–terpyridine complexes to create well-organized phosphorescent architectures with potential applications in energy-conversion devices like OLEDs and solar cells. Dodecane serves as a solvent in which the luminescent platinum–terpyridine complexes, particularly compound 2b, exhibit unique properties. Specifically, when compound 2b is dissolved in dodecane, it forms a deep-green solution with a strong absorption band at 644 nm and an unusually strong near-infrared emission at 830 nm. This deep-green color and near-infrared emission are indicative of molecular aggregation, which is attributed to Pt···Pt and π–π* stacking interactions. Furthermore, compound 2b acts as an effective gelator in dodecane, forming thermally reversible gels at a minimum gelation concentration of 7.5 mmol/L. The gels display a sol-to-gel phase transition, turning from a deep-red liquid above 60°C to a deep-green gelatinous state upon cooling to room temperature. The use of dodecane thus enables the formation of these gels and the observation of their thermotropic behavior, highlighting its crucial role in facilitating the self-assembly processes and the manifestation of the complexes' unique optical and structural properties.