Octyl formate

Base Information

• Chemical Name: Octyl formate
• CAS No.: 112-32-3
• Molecular Formula: C9H18 O2
• Molecular Weight: 158.241
• Hs Code.: 2915120000
• European Community (EC) Number: 203-959-5
• NSC Number: 404473
• UNII: 2XZ47CUU7G
• DSSTox Substance ID: DTXSID4059417
• Nikkaji Number: J69.829F
• Wikidata: Q3077502
• Metabolomics Workbench ID: 48269
• Mol file: 112-32-3.mol

Synonyms:Octyl formate;112-32-3;n-Octyl formate;FORMIC ACID, OCTYL ESTER;Octyl methanoate;n-Octyl methanoate;Octyl alcohol, formate;formic acid octyl ester;1-Octyl formate;FEMA No. 2809;Octyl formiate;EINECS 203-959-5;UNII-2XZ47CUU7G;NSC 404473;BRN 1755259;2XZ47CUU7G;Octyl alcohol, formate (6CI);NSC-404473;octylformate;Formic acid octyl;N- octyl formate;1- octyl formate;FORMATE, OCTYL;Formic acid, octylester;OCTYL FORMATE [FCC];SCHEMBL79532;N-OCTYL FORMATE [FHFI];DTXSID4059417;Octyl formate, >=97%, FCC;CHEBI:87496;FEMA 2809;LMFA07010980;MFCD00046147;NSC404473;AKOS024437507;LS-3009;FT-0631644;E79227;Q3077502

Chemical Property of Octyl formate

Chemical Property:

• Vapor Pressure: 0.339mmHg at 25°C
• Boiling Point: 199.6°Cat760mmHg
• Flash Point: 77.2°C
• PSA: 26.30000
• Density: 0.875g/cm³
• LogP: 3.15580
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 158.130679813
• Heavy Atom Count: 11
• Complexity: 81.6

Purity/Quality:

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCOC=O

Technology Process of Octyl formate

There total 45 articles about Octyl formate 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: 100.0%

N-Methylformamide (123-39-7) → octanol (111-87-5) + di-n-octyl ether (629-82-3) + octyl formate (112-32-3) + N-methylmethanimidamide hydroiodide

Guidance literature:

With 1-Iodooctane; at 146 ℃;

DOI:10.1021/jo00059a035

Reference yield: 100.0%

N-Methylformamide (123-39-7) → octanol (111-87-5) + di-n-octyl ether (629-82-3) + octyl formate (112-32-3) + N-methylmethanimidamide hydrobromide

Guidance literature:

With 1-bromo-octane; at 146 ℃;

DOI:10.1021/jo00059a035

Reference yield: 90.0%

octanol (111-87-5) → n-chlorooctane (111-85-3) + octyl formate (112-32-3)

Guidance literature:

octanol; With Vilsmeier reagent; In dichloromethane; at 5 - 20 ℃; for 0.166667h;

With water; sodium hydrogencarbonate; In dichloromethane; water;

upstream raw materials:

octanol

formamide

n-chlorooctane

1-bromo-octane

Downstream raw materials:

octanol

6-phenyl-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one

octane

dimethyl 2-octylsuccinate

Refernces

• 1、 Kyne, Sara H.,Schiesser, Carl H.. "N,S-Dimethyldithiocarbamyl oxalates as precursors for determining kinetic parameters for oxyacyl radicals". . p. 12040 - 12042. Retrieved 2014.
• 2、 Xu, Zichen,Zhao, Guoying,Ullah, Latif,Wang, Meng,Wang, Aoyun,Zhang, Yanqiang,Zhang, Suojiang. "Acidic ionic liquid based UiO-67 type MOFs: A stable and efficient heterogeneous catalyst for esterification". . p. 10009 - 10016. Retrieved 2018/03/23.
• 3、 -. "Method of using swelling-able acidic poly(ionic liquid) to catalyze esterification between formic acid and alkenes to prepare formate". Paragraph 0029; 0030; 0031; 0033; 0034; 0042; 0043-0046. . Retrieved 2018/11/04.