(Z)-2-Nonenyl propionate

Base Information

• Chemical Name: (Z)-2-Nonenyl propionate
• CAS No.: 94109-98-5
• Molecular Formula: C12H22 O2
• Molecular Weight: 198.305
• Hs Code.: 2915509000
• European Community (EC) Number: 302-538-4
• DSSTox Substance ID: DTXSID601305340
• Wikidata: Q76389871
• Metabolomics Workbench ID: 4275
• Mol file: 94109-98-5.mol

Synonyms:(Z)-2-Nonenyl propionate;EINECS 302-538-4;(Z)-Non-2-enyl propionate;94109-98-5;WE(9:1(2Z)/3:0);[(Z)-non-2-enyl] propanoate;CHEBI:179190;DTXSID601305340;2-Nonen-1-ol, propanoate, (Z)-;LMFA07010630

Chemical Property of (Z)-2-Nonenyl propionate

Chemical Property:

• Vapor Pressure: 0.0158mmHg at 25°C
• Boiling Point: 256°Cat760mmHg
• Flash Point: 86.5°C
• PSA: 26.30000
• Density: 0.886g/cm³
• LogP: 3.46620
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC=CCOC(=O)CC
• Isomeric SMILES: CCCCCC/C=C\COC(=O)CC

Technology Process of (Z)-2-Nonenyl propionate

There total 3 articles about (Z)-2-Nonenyl propionate 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: 91.0%

(Z)-2-nonen-1-ol (41453-56-9) + propionyl chloride (79-03-8) → (Z)-2-nonenyl propionate (94109-98-5)

Guidance literature:

With pyridine; In benzene; Ambient temperature;

Reference yield:

1-bromo-hexane (111-25-1) → (Z)-2-nonenyl propionate (94109-98-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 71 percent / LiNH₂, liq. NH₃ / tetrahydrofuran

2: 81 percent / NaBH₄, Ni(OAc)2 / ethanol

3: 91 percent / pyridine / benzene / Ambient temperature

With pyridine; sodium tetrahydroborate; lithium amide; ammonia; nickel diacetate; In tetrahydrofuran; ethanol; benzene;

Reference yield:

2-nonyn-1-ol (5921-73-3) → (Z)-2-nonenyl propionate (94109-98-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / NaBH₄, Ni(OAc)2 / ethanol

2: 91 percent / pyridine / benzene / Ambient temperature

With pyridine; sodium tetrahydroborate; nickel diacetate; In ethanol; benzene;

upstream raw materials:

(Z)-2-nonen-1-ol

propionyl chloride

1-bromo-hexane

2-nonyn-1-ol

Downstream raw materials:

(Z)-2-nonen-1-ol

Refernces