Neral diethyl acetal

Base Information

• Chemical Name: Neral diethyl acetal
• CAS No.: 7492-66-2
• Molecular Formula: C14H26 O2
• Molecular Weight: 226.359
• Hs Code.: 2911000000
• UN Number: 1993
• UNII: Z3E3439VGA
• DSSTox Substance ID: DTXSID90238850
• Wikidata: Q27294947
• Metabolomics Workbench ID: 48920
• Mol file: 7492-66-2.mol

Synonyms:Neral diethyl acetal;FEMA No. 2304, Z-;UNII-Z3E3439VGA;Z3E3439VGA;CITRAL DIETHYL ACETAL;(2Z)-1,1-Diethoxy-3,7-dimethyl-octa-2,6-diene;1,1-Diethoxy-3,7-dimethyl-octa-2,6-diene, (2Z)-;2,6-Octadiene, 1,1-diethoxy-3,7-dimethyl-, (Z)-;2,6-Octadiene, 1,1-diethoxy-3,7-dimethyl-, (2Z)-;92080-89-2;1,1-Diethoxy-3,7-dimethyl-2,6-octadiene;SCHEMBL12286016;FEMA 2304;DTXSID90238850;MFCD00036575;LS-1647;(Z)-1,1-diethoxy-3,7-dimethylocta-2,6-diene;(6Z)-8,8-diethoxy-2,6-dimethylocta-2,6-diene;Q27294947

Chemical Property of Neral diethyl acetal

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 2.13Pa at 25℃
• Refractive Index: n20/D 1.449(lit.)
• Boiling Point: 140-142oC (15 mmHg)
• Flash Point: 79 ºC
• PSA: 18.46000
• Density: 0.875
• LogP: 4.07820
• Storage Temp.: 2-8°C
• Water Solubility.: 1g/L at 25℃
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 226.193280068
• Heavy Atom Count: 16
• Complexity: 219
• Transport DOT Label: Combustible Liquid

Purity/Quality:

99% ^*data from raw suppliers

Citral diethyl acetal ≥93% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(C=C(C)CCC=C(C)C)OCC
• Isomeric SMILES: CCOC(/C=C(/C)\CCC=C(C)C)OCC

Technology Process of Neral diethyl acetal

There total 5 articles about Neral diethyl acetal 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: 87.0%

orthoformic acid triethyl ester (122-51-0) + (E/Z)-3,7-dimethyl-2,6-octadienal (5392-40-5,96680-15-8) → 1,1-diethoxy-3,7-dimethylocta-2,6-diene (7492-66-2)

Guidance literature:

With perchloric acid; In ethanol; for 1h;

DOI:10.1007/BF00957240

Reference yield:

ethanol (64-17-5) + (E/Z)-3,7-dimethyl-2,6-octadienal (5392-40-5,96680-15-8) → Citronellol (106-22-9) + 1,1-diethoxy-3,7-dimethylocta-2,6-diene (7492-66-2) + 3,7-dimethyl-oct-6-enal (106-23-0,26489-02-1) + geraniol (624-15-7)

Guidance literature:

With hydrogen; Au/Fe(OH)x; at 100 ℃; for 11h; under 15001.5 Torr; Further Variations:; Catalysts; Product distribution;

DOI:10.1039/b716870e

Reference yield:

tetraethoxy orthosilicate (78-10-4) + (E/Z)-3,7-dimethyl-2,6-octadienal (5392-40-5,96680-15-8) → 1,1-diethoxy-3,7-dimethylocta-2,6-diene (7492-66-2)

Guidance literature:

With ethanol; unter Zusatz von wasserhaltiger Phosphorsaeure;

upstream raw materials:

tetraethoxy orthosilicate

(E/Z)-3,7-dimethyl-2,6-octadienal

ethanol

orthoformic acid triethyl ester

Downstream raw materials:

hydroprene

Ethyl-3,7,11-Trimethyl-cis-2,trans-4-dodecadienoat

(E/Z)-3,7-dimethyl-2,6-octadienal

5,9-dimethyl-deca-2,4,8-trienal

Refernces

• 1、 Yanovskaya, L. A.,Zhdankina, G. M.,Krystal', G. V.,Serebryakov, E. P.. "SYNTHESIS OF ETHYL 3,7,11-TRIMETHYLDODECA-2,4-DIENOATE (HYDROPRENE) FROM CITRAL". . p. 2587 - 2590. Retrieved 2007/10/02.
• 2、 Glushko,Kryshtal',Kogan,Yanovskaya. "Direction of epoxidation of esters of polyunsaturated acids". . p. 869 - 872. Retrieved 2007/10/11.