Allyl nonanoate

Base Information

• Chemical Name: Allyl nonanoate
• CAS No.: 7493-72-3
• Molecular Formula: C12H22 O2
• Molecular Weight: 198.305
• European Community (EC) Number: 231-334-7
• NSC Number: 20974
• UN Number: 1993
• UNII: GKV2G6HUKE
• DSSTox Substance ID: DTXSID3024447
• Nikkaji Number: J118.084C
• Wikidata: Q27279149
• Metabolomics Workbench ID: 44050
• ChEMBL ID: CHEMBL1506537
• Mol file: 7493-72-3.mol

Synonyms:ALLYL NONANOATE;7493-72-3;Allyl pelargonate;Nonanoic acid, 2-propenyl ester;prop-2-enyl nonanoate;Nonanoic acid, allyl ester;Allyl nonylate;2-Propenyl nonanoate;Allyl nonan-1-oate;2-Propenyl pelargonate;FEMA No. 2036;Allyl n-nonanoate;Nonanoic acid, 2-propen-1-yl ester;PROP-2-EN-1-YL NONANOATE;GKV2G6HUKE;UNII-GKV2G6HUKE;EINECS 231-334-7;NSC 20974;Nonanoic Acid Allyl Ester;AI3-36010;DTXSID3024447;NSC-20974;Nonanoic acid,2-propen-1-yl ester;allyl nonan - 1 - oate;Allyl nonanoate, >=97%;Pelargonic Acid Allyl Ester;MLS002415711;SCHEMBL435885;ALLYL NONANOATE [FHFI];DTXCID204447;CHEMBL1506537;CHEBI:171828;HMS3039E05;Nonanoic acid, allyl ester (8CI);NSC20974;Tox21_200173;LMFA07010778;MFCD00038344;AKOS006239760;HY-W127576;LS-1649;NCGC00091200-01;NCGC00091200-02;NCGC00257727-01;SMR001370894;CAS-7493-72-3;CS-0185797;FT-0622032;D88528;Q27279149

Chemical Property of Allyl nonanoate

Chemical Property:

• Vapor Pressure: 0.0183mmHg at 25°C
• Refractive Index: n20/D 1.434(lit.)
• Boiling Point: 253.4oC at 760 mmHg
• Flash Point: 102.5oC
• PSA: 26.30000
• Density: 0.88g/cm3
• LogP: 3.46620
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 152
• Transport DOT Label: Flammable Liquid

Purity/Quality:

97% ^*data from raw suppliers

Allyl Nonanoate >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(=O)OCC=C
• Uses: Allyl Nonanoate is a synthetic flavoring agent that is a stable, color- less to light yellow liquid of fruity-cognac odor. it should be stored in glass or tin containers. it is used in fruit flavors like melon and pineapple for application in candy, ice cream, and beverages at 0.70–5 ppm.

Technology Process of Allyl nonanoate

There total 2 articles about Allyl nonanoate 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: 96.0%

nonanoic acid (112-05-0) + allyl bromide (106-95-6) → allyl nonanoate (7493-72-3)

Guidance literature:

With potassium carbonate; In 1-methyl-pyrrolidin-2-one; acetone; Reflux;

DOI:10.1016/j.tetlet.2010.12.023

Reference yield:

nonanoic acid (112-05-0) + allyl alcohol (107-18-6) → allyl nonanoate (7493-72-3)

Guidance literature:

With naphthalene-2-sulfonate; benzene;

Reference yield:

allyl nonanoate (7493-72-3) → nonanoic acid (112-05-0) + propyl nonanoate (6513-03-7)

Guidance literature:

With sodium tetrahydroborate; ruthenium(III) chloride monohydrate; In water; 2,4-dichlorophenoxyacetic acid dimethylamine; at 0 ℃; for 1h;

DOI:10.1016/j.tetlet.2010.12.023

upstream raw materials:

nonanoic acid

allyl alcohol

allyl bromide

Downstream raw materials:

nonanoic acid

propyl nonanoate