1,1-Dimethoxyoctane

Base Information

• Chemical Name: 1,1-Dimethoxyoctane
• CAS No.: 10022-28-3
• Molecular Formula: C10H22O2
• Molecular Weight: 174.283
• Hs Code.: 2911000000
• European Community (EC) Number: 233-018-4
• UNII: OD5I84ZHFV
• DSSTox Substance ID: DTXSID1047520
• Nikkaji Number: J60.727D
• Wikidata: Q27285585
• Metabolomics Workbench ID: 48953
• Mol file: 10022-28-3.mol

Synonyms:octanal dimethyl acetal

Chemical Property of 1,1-Dimethoxyoctane

Chemical Property:

• Appearance/Colour: COA
• Vapor Pressure: 1.15E-13mmHg at 25°C
• Refractive Index: n20/D 1.416(lit.)
• Boiling Point: 195.4 °C at 760 mmHg
• Flash Point: 48.3 °C
• PSA: 18.46000
• Density: 0.843 g/cm³
• LogP: 2.96580
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: 210.5mg/L at 24℃
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 174.161979940
• Heavy Atom Count: 12
• Complexity: 79.9

Purity/Quality:

99% ^*data from raw suppliers

n-Octanal Dimethyl Acetal >98.0%(GC) ^*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: CCCCCCCC(OC)OC
• Description: Octanal dimethyl acetal has a characteristic woody aroma reminiscent of cognac. May be synthesized by condensation of octaldehyde with methanol using dry HCL as a dehydrating agent.

Technology Process of 1,1-Dimethoxyoctane

There total 19 articles about 1,1-Dimethoxyoctane 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%

Octanal (124-13-0) + trimethyl orthoformate (149-73-5) → 1,1-dimethoxyoctane (10022-28-3)

Guidance literature:

With lithium tetrafluoroborate; In methanol; for 0.5h; Heating;

DOI:10.1055/s-2004-820038

Reference yield: 99.0%

methanol (67-56-1) + Octanal (124-13-0) → 1,1-dimethoxyoctane (10022-28-3)

Guidance literature:

With samarium(III) trifluoromethanesulfonate; at 20 ℃; for 0.0833333h;

DOI:10.1016/S0040-4039(99)02051-1

Reference yield: 99.0%

methanol (67-56-1) + Octanal (124-13-0) + hexyl-methyl-ketone (111-13-7) → 1,1-dimethoxyoctane (10022-28-3) + rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9)

Guidance literature:

methanol; Octanal; hexyl-methyl-ketone; With Ru_nanoHAP; at 30 ℃; for 0.5h; Flow reactor; Inert atmosphere;

With hydrogen; at 40 ℃; for 1h; under 760.051 Torr; Flow reactor;

DOI:10.1039/c3gc41322e

upstream raw materials:

methanol

2,4,6-triheptyl-1,3,5-trioxane

triethyl-(3-hexyl-oxiranyl)-silane

1,1-dichlorooctane

Downstream raw materials:

1-methoxy-1-(phenylseleno)octane

1,1-diphenylselenooctane

Octanal

(Z)-1-methoxy-oct-1-ene

Refernces

• 1、 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 2004.
• 2、 Kamochi, Yasuko,Kudo, Tadahiro. "Novel and facile selective reduction of carboxylic acid with a samarium diiodide-lanthanide triflate-methanol-base system". . p. 341 - 344. Retrieved 2000.
• 3、 Green, Shawn D.,Kindoll, Tyler,Lazaro-Martinez, Brenda,Mensah, Enoch A.,West, Jesse. "Formation of Acetals and Ketals from Carbonyl Compounds: A New and Highly Efficient Method Inspired by Cationic Palladium". . p. 1810 - 1814. Retrieved 2019.
• 4、 Roy, Anupam,Rahman, Matiur,Das, Sudarshan,Kundu, Dhiman,Kundu, Shrishnu Kumar,Majee, Adinath,Hajra, Alakananda. "Zinc chloride as an efficient catalyst for chemoselective dimethyl acetalization". . p. 590 - 595. Retrieved 2009.
• 5、 Nikitas, Nikolaos F.,Triandafillidi, Ierasia,Kokotos, Christoforos G.. "Photo-organocatalytic synthesis of acetals from aldehydes". . p. 669 - 674. Retrieved 2019.
• 6、 Shono, Tatsuya,Hamaguchi, Hiroshi,Mikami, Hiroshi,Nogusa, Hideo,Kashimura, Shigenori. "Electroorganic Chemistry. 59. Electroreductive Synthesis of Oximes from Nitro Olefins". . p. 2103 - 2105. Retrieved 1983.
• 7、 Mei,Bentley,Du. "NCS with thiourea as highly efficient catalysts for acetalization of aldehydes". . p. 4199 - 4200. Retrieved 2009.