4-Methyl-2-octyl-1,3-dioxolane

Base Information

• Chemical Name: 4-Methyl-2-octyl-1,3-dioxolane
• CAS No.: 68391-39-9
• Molecular Formula: C12H24O2
• Molecular Weight: 200.321
• European Community (EC) Number: 269-947-7
• NSC Number: 21897
• UNII: 28H9SFA7YM
• DSSTox Substance ID: DTXSID70867586
• Nikkaji Number: J349.380F
• Wikidata: Q27254312
• Metabolomics Workbench ID: 45528
• Mol file: 68391-39-9.mol

Synonyms:4-Methyl-2-octyl-1,3-dioxolane;Nonanal propyleneglycol acetal;68391-39-9;2-Octyl-4-methyl-1,3-dioxolane;1,3-Dioxolane, 4-methyl-2-octyl-;UNII-28H9SFA7YM;28H9SFA7YM;nonanal propylene glycol acetal;EINECS 269-947-7;NSC-21897;AI3-30604;Nonanal PG Acetal;NSC21897;1, 4-methyl-2-octyl-;SCHEMBL3504699;FEMA NO. 4373;DTXSID70867586;CHEBI:179753;2-Octyl-4-methyl-1, 3-dioxolane;NSC 21897;NONANAL PROPYLENEGLYCOL ACETAL [FHFI];(+/-)-, NONANAL PROPYLENEGLYCOL ACETAL;NONANAL PROPYLENEGLYCOL ACETAL, (+/-)-;Q27254312

Chemical Property of 4-Methyl-2-octyl-1,3-dioxolane

Chemical Property:

• Vapor Pressure: 0.0526mmHg at 25°C
• Refractive Index: 1.431
• Boiling Point: 242.5 °C at 760 mmHg
• Flash Point: 93.3 °C
• PSA: 18.46000
• Density: 0.88 g/cm³
• LogP: 3.49840
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 200.177630004
• Heavy Atom Count: 14
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1OCC(O1)C

Technology Process of 4-Methyl-2-octyl-1,3-dioxolane

There total 3 articles about 4-Methyl-2-octyl-1,3-dioxolane 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:

nonan-1-al (124-19-6) + propylene glycol (57-55-6,63625-56-9) → nonanal propylene glycol acetal (68391-39-9)

Guidance literature:

With toluene-4-sulfonic acid; calcium chloride; at 50 - 55 ℃; for 1.5h;

Reference yield:

propylene glycol (57-55-6,63625-56-9) + oct-1-ene (111-66-0,25068-25-1) + carbon monoxide (201230-82-2) → nonanal propylene glycol acetal (68391-39-9) + C11H22O2

Guidance literature:

With dicarbonylacetylacetonato rhodium (I); BF₄^(1-)*C₂₀H₁₈NO₂P*H⁽¹⁺⁾; hydrogen; 1-butyl-3-methylimidazolium Tetrafluoroborate; at 80 ℃; for 2h; under 37503.8 Torr; Autoclave; Green chemistry;

DOI:10.1039/c3gc41231h

Reference yield:

propylene glycol (57-55-6,63625-56-9) + oct-1-ene (111-66-0,25068-25-1) + carbon monoxide (201230-82-2) → nonanal propylene glycol acetal (68391-39-9) + C12H24O2 + 1-octene + C12H24O2

Guidance literature:

With acetylacetonatodicarbonylrhodium(l); N-(diphenylphosphino)-N-(methyldiphenylphosphonium)-2-phenylethanamine trifluoromethanesulfonate; hydrogen; at 100 ℃; for 3h; under 30003 Torr; Reagent/catalyst; Temperature; Pressure; Catalytic behavior; Autoclave;

DOI:10.1039/c5cy01827g

upstream raw materials:

propylene glycol

oct-1-ene

carbon monoxide

nonan-1-al

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