Nonyl formate

Base Information

• Chemical Name: Nonyl formate
• CAS No.: 5451-92-3
• Molecular Formula: C10H20 O2
• Molecular Weight: 172.268
• Hs Code.: 2915120000
• European Community (EC) Number: 304-191-4
• NSC Number: 21878
• UNII: N93FU7QE6P
• DSSTox Substance ID: DTXSID401031650
• Nikkaji Number: J1.698.234B
• Wikidata: Q82887014
• Mol file: 5451-92-3.mol

Synonyms:Nonyl formate;5451-92-3;Formic acid, nonyl ester;N93FU7QE6P;NSC-21878;94247-15-1;Nonyl ester formic acid;n-nonyl formate;Nonyl methanoate;1-n-Nonyl formate;1-NONYL FORMATE;UNII-N93FU7QE6P;SCHEMBL93202;NONYL ALCOHOL, FORMATE;DTXSID401031650;NSC21878;NSC 21878;AKOS006271497;FT-0635725

Chemical Property of Nonyl formate

Chemical Property:

• Melting Point: -34.1°C (estimate)
• Refractive Index: 1.4114 (estimate)
• Boiling Point: 220°Cat760mmHg
• Flash Point: 87.5°C
• PSA: 26.30000
• Density: 0.873g/cm³
• LogP: 3.54590
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 91.8

Purity/Quality:

99% ^*data from raw suppliers

NONYL FORMATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCOC=O

Technology Process of Nonyl formate

There total 2 articles about Nonyl 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: 80.0%

caprinaldehyde (112-31-2) → 1-decanoic acid (334-48-5) + 1-nonanyl formate (5451-92-3)

Guidance literature:

With water; difluoro[4-(trifluoromethyl)phenyl]-λ³-bromane; In dichloromethane; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ja104330g

Reference yield:

formic acid (64-18-6) + oct-1-ene (111-66-0,25068-25-1) + carbon monoxide (201230-82-2) → 1-nonanyl formate (5451-92-3) + nonyl alcohol (143-08-8)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; 1,10-Phenanthroline; triethylamine; In 1,2-dichloro-ethane; at 120 ℃; for 16h; under 3750.38 - 22502.3 Torr; Autoclave; Sealed tube;

DOI:10.1016/j.jcat.2020.03.008

upstream raw materials:

caprinaldehyde

formic acid

oct-1-ene

carbon monoxide

Refernces

• 1、 Ochiai, Masahito,Yoshimura, Akira,Miyamoto, Kazunori,Hayashi, Satoko,Nakanishi, Waro. "Hypervalent λ3-bromane strategy for Baeyer-Villiger oxidation: Selective transformation of primary aliphatic and aromatic aldehydes to formates, which is missing in the classical Baeyer-Villiger oxidation". supporting information; experimental part. p. 9236 - 9239. Retrieved 2010/11/02.