2,6-Octadiene, 1,1-dimethoxy-3,7-dimethyl-

Base Information

• Chemical Name: 2,6-Octadiene, 1,1-dimethoxy-3,7-dimethyl-
• CAS No.: 7549-37-3
• Molecular Formula: C12H22 O2
• Molecular Weight: 198.305
• Hs Code.: 2911000000
• DSSTox Substance ID: DTXSID8044832
• ChEMBL ID: CHEMBL3181878
• Mol file: 7549-37-3.mol

Synonyms:DTXSID8044832;3,7-Dimethyl-2,6-octadienal, dimethyl acetal;CHEMBL3181878;FT-0606127

Chemical Property of 2,6-Octadiene, 1,1-dimethoxy-3,7-dimethyl-

Chemical Property:

• Vapor Pressure: 9 mm Hg ( 102.7 °C)
• Refractive Index: n20/D 1.454(lit.)
• Boiling Point: 105-106 ºC (10 mmHg)
• Flash Point: 82 ºC
• PSA: 18.46000
• Density: 0.89
• LogP: 3.29800
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

Citral Dimethyl Acetal (cis- and trans- mixture) >90.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CC(OC)OC)C)C

Technology Process of 2,6-Octadiene, 1,1-dimethoxy-3,7-dimethyl-

There total 4 articles about 2,6-Octadiene, 1,1-dimethoxy-3,7-dimethyl- 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: 100.0%

trimethyl orthoformate (149-73-5) + (E/Z)-3,7-dimethyl-2,6-octadienal (5392-40-5,96680-15-8) → citral dimethyl acetal (7549-37-3)

Guidance literature:

With lithium tetrafluoroborate; In methanol; for 0.333333h; Heating;

DOI:10.1055/s-2004-820038

Reference yield: 50.0%

methanol (67-56-1) + (E/Z)-3,7-dimethyl-2,6-octadienal (5392-40-5,96680-15-8) → citral dimethyl acetal (7549-37-3) + 3,7-dimethylocta-2,6-dienal oxime (13372-77-5)

Guidance literature:

With hydroxylamine hydrochloride; lithium carbonate; at 20 ℃; for 0.5h; chemoselective reaction;

DOI:10.1080/00397911.2010.523156

Reference yield:

tetramethylorthosilicate (681-84-5) + (E/Z)-3,7-dimethyl-2,6-octadienal (5392-40-5,96680-15-8) → citral dimethyl acetal (7549-37-3)

Guidance literature:

With methanol; unter Zusatz von wasserhaltiger Phosphorsaeure;

upstream raw materials:

tetramethylorthosilicate

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

trimethyl orthoformate

methanol

Downstream raw materials:

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

2,3,5-trimethyl-1,4-hydroquinone diacetate

(RS)-2,5,7,8-tetramethyl-2-(4-methylpent-3-en-1-yl)-6-acetoxy-3-chromene

cordiachromene

Refernces

• 1、 Silveira, Claudio C.,Mendes, Samuel R.,Ziembowicz, Francieli I.,Lenarda?o, Eder J.,Perin, Gelson. "The use of anhydrous CeCl3 as a recyclable and selective catalyst for the acetalization of aldehydes and ketones". scheme or table. p. 371 - 374. Retrieved 2010/09/07.
• 2、 Hamada, Nao,Kazahaya, Kiyoshi,Shimizu, Hisashi,Sato, Tsuneo. "An efficient and versatile procedure for the synthesis of acetals from aldehydes and ketones catalyzed by lithium tetrafluoroborate". . p. 1074 - 1076. Retrieved 2015/10/07.