Tridecyl acetate

Base Information

• Chemical Name: Tridecyl acetate
• CAS No.: 1072-33-9
• Molecular Formula: C15H30O2
• Molecular Weight: 242.402
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID90147938
• Nikkaji Number: J118.403B
• Wikidata: Q67880144
• Metabolomics Workbench ID: 3927
• ChEMBL ID: CHEMBL2228461
• Mol file: 1072-33-9.mol

Synonyms:TRIDECYL ACETATE;1072-33-9;Acetic Acid Tridecyl Ester;Tridecanyl acetate;TRIDECYLACETATE;1-Tridecanol, acetate;Acetic acid, tridecyl ester;BRN 1773872;AI3-35251;n-Tridecyl acetate;1-Tridecyl acetate;Acetic acid n-trydecyl ester;SCHEMBL157239;CHEMBL2228461;DTXSID90147938;BAA07233;LMFA07010282;MFCD00056197;LS-157152;CS-0207398;FT-0633291;D88438;J-001743;Q67880144

Chemical Property of Tridecyl acetate

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.00251mmHg at 25°C
• Melting Point: 8.4°C
• Refractive Index: 1.437
• Boiling Point: 287.3 °C at 760 mmHg
• Flash Point: 126.6 °C
• PSA: 26.30000
• Density: 0.866 g/cm³
• LogP: 4.86050
• Storage Temp.: 2-8°C
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 242.224580195
• Heavy Atom Count: 17
• Complexity: 166

Purity/Quality:

98%,99%, ^*data from raw suppliers

Tridecyl Acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCOC(=O)C

Technology Process of Tridecyl acetate

There total 6 articles about Tridecyl acetate 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: 43.0%

1-dodecene (112-41-4,25067-08-7,62132-67-6) + carbon monoxide (201230-82-2) + acetic acid (64-19-7,77671-22-8) → n-tridecyl acetate (1072-33-9)

Guidance literature:

With dodecacarbonyl-triangulo-triruthenium; hydrogen; toluene-4-sulfonic acid; tricyclohexylphosphine; In water; at 140 ℃; for 20h; under 30003 Torr; Schlenk technique;

DOI:10.1039/d1cy01113h

Reference yield:

lead(IV) tetraacetate (546-67-8) + n-tetradecanoic acid (544-63-8) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → (+/-)-2-Tridecanyl acetate (41015-28-5,136376-56-2) + 3-acetoxytridecane (60826-31-5) + Tridecane (629-50-5) + 1-tridecene (2437-56-1) + n-tridecyl acetate (1072-33-9) + cis-tridec-6-ene (6508-77-6) + (E)-tridec-6-ene (6434-76-0) + (Z)-tridec-5-ene (25524-42-9) + trans-5-tridecene (23051-84-5) + (Z)-tridec-4-ene (41446-54-2) + trans-4-tridecene (41446-55-3) + cis-3-tridecene (41446-53-1) + trans-3-tridecene (41446-57-5) + (Z)-tridec-2-ene (41446-59-7) + (E)-tridec-2-ene (41446-58-6) + tridecylbenzene (123-02-4) + 6-acetoxytridecane (60826-27-9) + 5-acetoxytridecane (60826-29-1) + 4-acetoxytridecane (60826-30-4)

Guidance literature:

at 81 ℃;

DOI:10.1016/j.molstruc.2013.02.020

Reference yield:

Acetic acid (E)-11-formyl-tridec-10-enyl ester → n-tridecyl acetate (1072-33-9) + Acetic acid (Z)-tridec-10-enyl ester (64437-24-7) + Acetic acid (E)-tridec-10-enyl ester (64437-33-8)

Guidance literature:

With RhCl(PPh₃)3; In dichloromethane; at 100 ℃; Yield given. Yields of byproduct given;

DOI:10.1007/BF00953108

upstream raw materials:

1-Iodooctane

5-iodopentyl acetate

tridecan-1-ol

acetic anhydride

Downstream raw materials:

1-tridecene

(+/-)-1,2-epoxytridecane

Refernces

• 1、 Beller, Matthias,Dühren, Ricarda,Franke, Robert,Jackstell, Ralf,Kucmierczyk, Peter,Schneider, Carolin. "Ruthenium-catalysed domino hydroformylation-hydrogenation-esterification of olefins". . p. 5777 - 5780. Retrieved 2021/09/10.
• 2、 Petrovic, Zorica,Konstantinovic, Stanimir,Spasojevic, Aleksandra. "BF3 etherate-induced formation of C7-C 16-alkyl β-D-glucopyranosides". . p. 132 - 134. Retrieved 2007/10/03.