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

Base Information

• Chemical Name: 4-Methyl-2-pentyl-1,3-dioxolane
• CAS No.: 1599-49-1
• Molecular Formula: C9H18O2
• Molecular Weight: 158.241
• Hs Code.: 2932999099
• European Community (EC) Number: 216-489-0
• UNII: LJ67NF091T
• DSSTox Substance ID: DTXSID00862706
• Nikkaji Number: J83.715F
• Wikidata: Q27283020
• Metabolomics Workbench ID: 47730
• Mol file: 1599-49-1.mol

Synonyms:4-Methyl-2-pentyl-1,3-dioxolane;1599-49-1;1,3-DIOXOLANE, 4-METHYL-2-PENTYL-;4-Methyl-2-pentyl-dioxolane;Hexanal propylene glycol acetal;Hexaldehyde propylene glycol acetal;FEMA No. 3630;2-Amyl-4-methyl-1,3-dioxolane;BRN 6186072;4-Methyl-2-pentyl-1,3-dioxolan;2-pentyl-4-methyl-1,3-dioxolane;EINECS 216-489-0;UNII-LJ67NF091T;AI3-37203;LJ67NF091T;4-Methyl-2-pentyl-1,3-dioxolane, contain ~15% 4-Methyl-2-butyl-1,3-dioxolane;SCHEMBL873344;FEMA 3630;DTXSID00862706;CHEBI:179883;BAA59949;MFCD00065423;4-Methyl-2-pentyl-1,3-dioxolane #;AKOS006272399;AS-10575;LS-62645;CS-0205465;FT-0627030;E79170;4-METHYL-2-PENTYL-1,3-DIOXOLANE [FHFI];A810090;(+/-)-4-METHYL-2-PENTYL-1,3-DIOXOLANE;4-METHYL-2-PENTYL-1,3-DIOXOLANE, (+/-)-;Q27283020

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

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 0.913mmHg at 25°C
• Refractive Index: 1.419
• Boiling Point: 186.393 °C at 760 mmHg
• Flash Point: 63.807 °C
• PSA: 18.46000
• Density: 0.89 g/cm³
• LogP: 2.32810
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 158.130679813
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

4-METHYL-2-PENTYL-1,3-DIOXOLANE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1OCC(O1)C

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

There total 1 articles about 4-Methyl-2-pentyl-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: 61.5%

propylene glycol (57-55-6,63625-56-9) + hexanal (66-25-1) → 4-methyl-2-pentyl-1,3-dioxolane (1599-49-1,26563-74-6,26563-75-7)

Guidance literature:

toluene-4-sulfonic acid; In toluene;

Reference yield:

4-methyl-2-pentyl-1,3-dioxolane (1599-49-1,26563-74-6,26563-75-7) → hexanoic acid-(2-hydroxy-propyl ester) (39556-41-7) + hexanoic acid-(β-hydroxy-isopropyl ester) (39556-41-7)

Guidance literature:

With aluminum oxide; Oxone; water; In chloroform; at 50 ℃; for 2h; Yield given; Yields of byproduct given;

DOI:10.1055/s-1999-2703

Reference yield:

methanol (67-56-1) + 4-methyl-2-pentyl-1,3-dioxolane (1599-49-1,26563-74-6,26563-75-7) → methyl hexanoate (106-70-7) + Methyl-2,2-dichlorhexanoat (18545-45-4)

Guidance literature:

With trichloroisocyanuric acid; lithium methanolate; Yield given. Multistep reaction. Yields of byproduct given; 1.) DMF, 5 deg C, 24 h, 2.) 3 h, 5 deg C;

DOI:10.1016/S0040-4039(00)76672-X

upstream raw materials:

propylene glycol

hexanal

Downstream raw materials:

methyl hexanoate

Methyl-2,2-dichlorhexanoat

hexanoic acid-(2-hydroxy-propyl ester)

hexanoic acid-(β-hydroxy-isopropyl ester)