Acetic acid trans-2-decen-1-YL ester

Base Information

• Chemical Name: Acetic acid trans-2-decen-1-YL ester
• CAS No.: 2497-23-6
• Molecular Formula: C12H22 O2
• Molecular Weight: 198.305
• DSSTox Substance ID: DTXSID50275842
• Nikkaji Number: J118.249H,J82.869F
• Wikidata: Q63409534
• Metabolomics Workbench ID: 3846
• Mol file: 2497-23-6.mol

Synonyms:2497-23-6;ACETIC ACID TRANS-2-DECEN-1-YL ESTER;[(E)-dec-2-enyl] acetate;2E-Decenyl acetate;(E)-2-Decenyl acetate;(E)-dec-2-enyl acetate;2-Decen-1-ol, 1-acetate, (2E)-;(E)-2-Decenyl=acetate;Acetic acid 2-decenyl ester;(2E)-2-Decenyl acetate #;trans-2-Decen-1-ol, acetate;SCHEMBL1300996;SCHEMBL1300998;TRANS-2-DECENYL ACETATE;DTXSID50275842;CHEBI:179188;LUMRROIRFJRWNX-MDZDMXLPSA-N;LMFA07010201;(2E)-DEC-2-EN-1-YL ACETATE;Q63409534

Chemical Property of Acetic acid trans-2-decen-1-YL ester

Chemical Property:

• Boiling Point: 55-67 °C(Press: 0.2 Torr)
• PSA: 26.30000
• Density: 0.886±0.06 g/cm3(Predicted)
• 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:

98%Min ^*data from raw suppliers

ACETIC ACID TRANS-2-DECEN-1-YL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Acetic acid trans-2-decen-1-YL ester

There total 14 articles about Acetic acid trans-2-decen-1-YL ester 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: 2.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) + acetic acid (64-19-7,77671-22-8) → gamma-dodecalactone (57084-18-1,2305-05-7) + (E)-2-decenyl acetate (2497-23-6) + (±)-dihydro-4-octyl-2(3H)-furanone (93863-11-7)

Guidance literature:

With potassium acetate; manganese triacetate; Heating;

DOI:10.1021/jo00201a003

Reference yield:

1-Decene (872-05-9,17438-89-0,25189-70-2) + acetic acid (64-19-7,77671-22-8) → dec-1-en-3-yl acetate (56991-23-2) + (E)-2-decenyl acetate (2497-23-6)

Guidance literature:

With 4 A molecular sieve; dimethyl sulfoxide; p-benzoquinone; palladium diacetate; at 40 ℃; for 48h; Further Variations:; Reagents; Product distribution;

DOI:10.1021/ja0500198

Reference yield:

dec-1-en-3-ol (74824-56-9,74867-43-9,74867-44-0,51100-54-0) + acetic anhydride (108-24-7) → dec-1-en-3-yl acetate (56991-23-2) + (E)-2-decenyl acetate (2497-23-6) + (Z)-dec-2-en-1-yl acetate (2497-23-6,19487-61-7,106490-55-5)

Guidance literature:

With sodium acetate; Yield given. Multistep reaction. Yields of byproduct given; 1.) CH₃COOH, room temp., 2.) CH₃COOH, 170 deg C, 3 d;

upstream raw materials:

sodium acetate

(E/Z)-1-Iodo-2-decen

dec-1-en-3-ol

acetic anhydride

Downstream raw materials:

1-Decene

n-decyl acetate

trans-2-decene

(Z)-2-decene