Heptadecane

Base Information

• Chemical Name: Heptadecane
• CAS No.: 629-78-7
• Molecular Formula: C17H36
• Molecular Weight: 240.473
• Hs Code.: 2901100000
• European Community (EC) Number: 211-108-4
• NSC Number: 172782
• UNII: H7C0J39XUM
• DSSTox Substance ID: DTXSID7047061
• Nikkaji Number: J1.703E
• Wikipedia: Heptadecane
• Wikidata: Q150888
• Metabolomics Workbench ID: 4708
• ChEMBL ID: CHEMBL3185332
• Mol file: 629-78-7.mol

Synonyms:heptadecane

Chemical Property of Heptadecane

Chemical Property:

• Appearance/Colour: colourless liquid or white solid
• Vapor Pressure: 0.00185mmHg at 25°C
• Melting Point: 21 C
• Boiling Point: 302 C
• Flash Point: 148 C (closed cup)
• PSA: 0.00000
• Density: 0.777 g/mL at 25 °C(lit.)
• LogP: 6.87770
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 14
• Exact Mass: 240.281701148
• Heavy Atom Count: 17
• Complexity: 103

Purity/Quality:

98%,99% ^*data from raw suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Heptadecane

There total 170 articles about Heptadecane 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: 75.0%

cis-Octadecenoic acid (112-80-1,2027-47-6) → hepatdecane (629-78-7) + stearic acid (57-11-4)

Guidance literature:

Pt/Sn/C; Product distribution / selectivity;

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;

upstream raw materials:

1-octadecanol

heptadecan-2-one

1-iodoheptadecane

heptadec-1-ene

Downstream raw materials:

2-methylheptane

3-methylheptane

Isobutane

methylbutane

Refernces

• 1、 Danyushevsky, V. Ya.,Murzin, V. Yu.,Kuznetsov,Shamsiev,Katsman,Khramov,Zubavichus,Berenblyum. "Revealing the Influence of Silver in Ni–Ag Catalysts on the Selectivity of Higher Olefin Synthesis from Stearic Acid". . p. 57 - 65. Retrieved 2018.
• 2、 Douglas et al.. "". . p. 285,293. Retrieved 1969.
• 3、 Han, Tao,Li, Danyang,Wu, Qi,Xu, Jian,Xu, Weihua,Xue, Jiadan. "Engineering Fatty Acid Photodecarboxylase to Enable Highly Selective Decarboxylation of trans Fatty Acids". . p. 20695 - 20699. Retrieved 2021.
• 4、 Besse, Xavier,Schuurman, Yves,Guilhaume, Nolven. "Hydrothermal conversion of linoleic acid and ethanol for biofuel production". . p. 139 - 148. Retrieved 2016.
• 5、 Sun, Yue,Calderini, Elia,Kourist, Robert. "A Reconstructed Common Ancestor of the Fatty Acid Photo-decarboxylase Clade Shows Photo-decarboxylation Activity and Increased Thermostability". . p. 1833 - 1840. Retrieved 2021/04/05.