2-Hexyl-1,3-dioxolane-4-methanol

Base Information

• Chemical Name: 2-Hexyl-1,3-dioxolane-4-methanol
• CAS No.: 1708-35-6
• Molecular Formula: C10H20 O3
• Molecular Weight: 188.267
• European Community (EC) Number: 216-960-0
• UNII: 63ZBP77DDC
• DSSTox Substance ID: DTXSID10862737
• Nikkaji Number: J42.147B
• Wikidata: Q27263666
• Metabolomics Workbench ID: 48622
• Mol file: 1708-35-6.mol

Synonyms:2-Hexyl-1,3-dioxolane-4-methanol;Heptanal glyceryl acetal;(2-hexyl-1,3-dioxolan-4-yl)methanol;1708-35-6;1,3-DIOXOLANE-4-METHANOL, 2-HEXYL-;Heptanal 1,2-glyceryl acetal;Heptanal, 1,2-glyceryl acetal;Heptanal glyceryl acetal (1,2 acetal);FEMA No. 2542;Heptanal, cyclic (hydroxymethyl)ethylene acetal;EINECS 216-960-0;UNII-63ZBP77DDC;BRN 0108185;63ZBP77DDC;4-19-00-00680 (Beilstein Handbook Reference);SCHEMBL1681846;FEMA 2542;DTXSID10862737;CHEBI:171758;AKOS006273113;LS-62607;FEMA NO. 2542, 1,2 ACETAL-;2 - hexyl - 1,3 - dioxolane - 4 - methanol;HEPTANAL CYCLIC (HYDROXYMETHYL)ETHYLENE ACETAL;Q27263666

Chemical Property of 2-Hexyl-1,3-dioxolane-4-methanol

Chemical Property:

• Vapor Pressure: 0.000813mmHg at 25°C
• Boiling Point: 271.9°C at 760 mmHg
• Flash Point: 132.4°C
• Density: 0.975g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 188.14124450
• Heavy Atom Count: 13
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1OCC(O1)CO

Technology Process of 2-Hexyl-1,3-dioxolane-4-methanol

There total 3 articles about 2-Hexyl-1,3-dioxolane-4-methanol 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: 80.0%

heptanal (111-71-7) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → (2-hexyl-[1,3]dioxolan-4-yl)-methanol (1708-35-6,18445-08-4)

Guidance literature:

AMBERLYST 36 resin; In water; at 40 ℃; for 5h; Product distribution / selectivity;

Reference yield:

4-(3,5-dinitro-benzoyloximethyl)-2-hexyl-[1,3]dioxolane (854844-09-0) → (2-hexyl-[1,3]dioxolan-4-yl)-methanol (1708-35-6,18445-08-4)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01178a009

Reference yield:

heptanal (111-71-7) → (2-hexyl-[1,3]dioxolan-4-yl)-methanol (1708-35-6,18445-08-4)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene

2: aqueous KOH-solution

With potassium hydroxide; benzene;

DOI:10.1021/ja01178a009

upstream raw materials:

4-(3,5-dinitro-benzoyloximethyl)-2-hexyl-[1,3]dioxolane

heptanal

glycerol

Refernces