trans-2-Nonenyl acetate

Base Information

• Chemical Name: trans-2-Nonenyl acetate
• CAS No.: 30418-89-4
• Molecular Formula: C11H20 O2
• Molecular Weight: 184.279
• Hs Code.: 2915390090
• European Community (EC) Number: 250-190-6
• UNII: 8E13QXV5O1
• DSSTox Substance ID: DTXSID601014884
• Nikkaji Number: J118.221H,J118.222F
• Wikidata: Q27270241
• Metabolomics Workbench ID: 3844
• Mol file: 30418-89-4.mol

Synonyms:30418-89-4;TRANS-2-NONENYL ACETATE;2-Nonenyl acetate;2-Nonen-1-ol, 1-acetate, (2E)-;(E)-2-Nonenyl acetate;(E)-Non-2-enyl acetate;[(E)-non-2-enyl] acetate;(E)-2-Nonen-1-ol acetate;2-Nonenyl acetate, (2E)-;2-Nonen-1-ol, acetate, (E)-;UNII-8E13QXV5O1;8E13QXV5O1;(2E)-non-2-en-1-yl acetate;EINECS 250-190-6;AI3-34276;2-Nonen-1-ol, acetate, (2E)-;(2E)-2-nonenyl acetate;Acetic acid 2-nonenyl ester;(E)-2-nonen-1-yl acetate;SCHEMBL1302086;FEMA NO. 4552;Acetic acid (E)-2-nonenyl ester;WFCCNPHGLLPSDJ-CMDGGOBGSA-N;DTXSID601014884;2-NONENYL ACETATE, TRANS-;LMFA07010199;AKOS006274300;Q27270241

Chemical Property of trans-2-Nonenyl acetate

Chemical Property:

• Vapor Pressure: 0.0464mmHg at 25°C
• Boiling Point: 236.8°Cat760mmHg
• Flash Point: 83.1°C
• PSA: 26.30000
• Density: 0.889g/cm³
• LogP: 3.07610
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

TRANS-2-NONENYL ACETATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of trans-2-Nonenyl acetate

There total 8 articles about trans-2-Nonenyl 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: 95.0%

2-nonenyl alcohol (31502-14-4) + acetic anhydride (108-24-7) → (E)-2-nonen-1-ol acetate (30418-89-4)

Guidance literature:

With dmap; In pyridine; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/ejoc.200901222

Reference yield:

heptanal (111-71-7) → (E)-2-nonen-1-ol acetate (30418-89-4)

Guidance literature:

Multi-step reaction with 3 steps

1: Py

2: LiAlH₄ / diethyl ether

3: Py / benzene

With pyridine; lithium aluminium tetrahydride; In diethyl ether; benzene;

DOI:10.1021/jm00285a015

Reference yield:

(E)-2-nonenoic acid (1577-98-6,3760-11-0,14812-03-4) → (E)-2-nonen-1-ol acetate (30418-89-4)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether

2: Py / benzene

With pyridine; lithium aluminium tetrahydride; In diethyl ether; benzene;

DOI:10.1021/jm00285a015

upstream raw materials:

2-nonenyl bromide

sodium acetate

2-nonenyl alcohol

acetyl chloride

Downstream raw materials:

3-chloronon-1-ene

(E)-1-chloro-2-nonene

(E)-2-methylundec-4-ene