Octadecane

Base Information

• Chemical Name: Octadecane
• CAS No.: 593-45-3
• Molecular Formula: C18H38
• Molecular Weight: 254.5
• Hs Code.: 2901.10 PRICE
• European Community (EC) Number: 209-790-3
• NSC Number: 4201
• UN Number: 1325
• UNII: N102P6HAIU
• DSSTox Substance ID: DTXSID9047172
• Nikkaji Number: J2.695F
• Wikipedia: Octadecane
• Wikidata: Q150900
• Metabolomics Workbench ID: 5276
• Mol file: 593-45-3.mol

Synonyms:octadecane;octadecane, 1-(14)C-labeled cpd;octadecane, 14C-labeled cpd

Chemical Property of Octadecane

Chemical Property:

• Appearance/Colour: clear semi-liquid
• Vapor Pressure: 1 mm Hg ( 119 °C)
• Melting Point: 28-31 °C
• Refractive Index: 1.4390
• Boiling Point: 316.3 °C at 760 mmHg
• Flash Point: 165.6 °C
• PSA: 0.00000
• Density: 0.781 g/cm³
• LogP: 7.26780
• Storage Temp.: Store below +30°C.
• Solubility.: <0.0001g/l insoluble
• Water Solubility.: No rapid reaction with water.
• XLogP3: 9.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 15
• Exact Mass: 254.297351212
• Heavy Atom Count: 18
• Complexity: 112
• Transport DOT Label: Flammable Solid

Purity/Quality:

98%min ^*data from raw suppliers

Octadecane [Standard Material for GC] >99.5%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-66-65
• Safety Statements: 26-36-62-24-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCCCCCCCCCCCCC
• Description: Octadecane is an alkane hydrocarbon that has the molecular formula CH3(CH2)16CH3. It is a straight-chain alkane that carries 18 carbon atoms. Octadecane has a role as a plant metabolite and a bacterial metabolite. It is found in alcoholic beverages, hop oil, aband other plant resources. Octadecane is a colorless liquid that has a fuel-like smell. It is soluble in water, slightly soluble in ethanol and soluble. It is also soluble in acetone, ethyl ether, chloroform, petroleum, ether, and coal tar hydrocarbons.
• Uses: n-octadecane is used as a solvent, a lubricant, transformer oil and an anti-corrosion agent. It is also used in paraffin and as a chemical intermediate in organic synthesis. It plays an important role in pheromones as a chemical messenger. N-Octadecane/ molecular sieve 5A composites find application as thermal storage material.

Technology Process of Octadecane

There total 161 articles about Octadecane 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:

tallow oil + decalin (91-17-8) → 2-methyl-8-propyl-dodecane (55045-07-3) + 2,6-dimethyl-hexadecane + cis-decahydronaphthalene + trans-decalin + naphthalene (91-20-3,71998-51-1,72931-45-4) + tetralin (119-64-2) + octane (111-65-9) + nonane (111-84-2) + decane (124-18-5) + dodecane (112-40-3) + pentadecane (629-62-9) + icosane (112-95-8) + n-docosane (629-97-0) + n-hexacosane (630-01-3) + methane (34557-54-5,27936-85-2) + n-heptane (142-82-5) + Tridecane (629-50-5) + isotridecane (1560-97-0) + tetradecane (629-59-4) + 3-methyl-tridecane (6418-41-3) + 2-methyltridecane (1560-96-9) + 3-methyltetradecane (18435-22-8) + isopentadecane (1560-95-8) + 3-methylpentadecane (2882-96-4) + Hexadecane (544-76-3) + hepatdecane (629-78-7) + 3-methylhexadecane (6418-43-5) + 2-methyl-hexadecane (1560-92-5) + octadecane (593-45-3) + n-nonadecane (629-92-5) + 2-methyl-eicosane (1560-84-5) + n-tricosane (638-67-5) + tetracosane (646-31-1) + n-pentacosane (629-99-2) + norpristane (3892-00-0)

Guidance literature:

With Dimethyldisulphide; hydrogen; cobalt-molybdenum on alumina; at 363 ℃; for 120h; under 23252.3 Torr; Product distribution / selectivity;

Reference yield:

tallow oil + decalin (91-17-8) → cis-decahydronaphthalene + trans-decalin + naphthalene (91-20-3,71998-51-1,72931-45-4) + tetralin (119-64-2) + octane (111-65-9) + nonane (111-84-2) + dodecane (112-40-3) + pentadecane (629-62-9) + icosane (112-95-8) + n-docosane (629-97-0) + methane (34557-54-5,27936-85-2) + n-heptane (142-82-5) + Tridecane (629-50-5) + isotridecane (1560-97-0) + tetradecane (629-59-4) + 3-methyl-tridecane (6418-41-3) + 2-methyltridecane (1560-96-9) + 3-methyltetradecane (18435-22-8) + isopentadecane (1560-95-8) + 3-methylpentadecane (2882-96-4) + 2-methylpentadecane (1560-93-6) + Hexadecane (544-76-3) + hepatdecane (629-78-7) + 3-methylhexadecane (6418-43-5) + 2-methyl-hexadecane (1560-92-5) + octadecane (593-45-3) + 3-methyl-heptadecane (6418-44-6) + 2-methylheptadecane (1560-89-0) + n-nonadecane (629-92-5) + phytane (638-36-8) + 2-methyl-eicosane (1560-84-5) + n-tricosane (638-67-5) + octadec-1-ene (112-88-9) + n-undecylcyclohexane (54105-66-7) + 1,3,5-trimethylcyclohexane (1839-63-0) + bicyclopentyl (1636-39-1) + decahydro-2-methyl naphthalene (2958-76-1)

Guidance literature:

With Dimethyldisulphide; hydrogen; cobalt-molybdenum on alumina; at 363 ℃; for 120h; under 75757.6 Torr; Product distribution / selectivity;

Reference yield:

Methyl stearate (112-61-8) → methane (34557-54-5,27936-85-2) + hepatdecane (629-78-7) + 2-methyl-hexadecane (1560-92-5) + octadecane (593-45-3) + carbon monoxide (201230-82-2)

Guidance literature:

With hydrogen; at 300 ℃; under 22502.3 Torr; Flow reactor;

DOI:10.1016/j.molcata.2014.02.031

upstream raw materials:

1-chlorooctadecane

octadecan-3-one

1-Bromononane

1-iodononane

Downstream raw materials:

1-octadecanol

n-eicosanol

melissyl alcohol

1-docosanol

Refernces

• 1、 Chatgilialoglu, C.,Griller, D.,Lesage, M.. "Tris(trimethylsilyl)silane. A New Reducing Agent". . p. 3641 - 3642. Retrieved 1988.
• 2、 Raut, Ravindra,Banakar, Vikram V.,Darbha, Srinivas. "Catalytic decarboxylation of non-edible oils over three-dimensional, mesoporous silica-supported Pd". . p. 126 - 134. Retrieved 2016.
• 3、 Gao, Xiang-Yu,He, Hai-Long,Li, Zhi,Liu, Dong-Huang,Wang, Jun-Jie,Xiao, Yao,Yi, Xianfeng,Zeng, Tengwu,Zhang, Yue-Biao,Zheng, Anmin,Zhou, Si-Yu. "Acidic metal-organic framework empowered precise hydrodeoxygenation of bio-based furan compounds and cyclic ethers for sustainable fuels". . p. 9974 - 9981. Retrieved 2021/12/27.
• 4、 Li, Jiang,Liu, Jiaxing,Zhang, Junjie,Wan, Tong,Huang, Lei,Wang, Xintian,Pan, Runze,An, Zhidong,Vlachos, Dionisios G.. "An unconventional DCOx favored Co/N-C catalyst for efficient conversion of fatty acids and esters to liquid alkanes". . . Retrieved 2019/12/26.