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

Base Information

• Chemical Name: 2-Hexyl-4-methyl-1,3-dioxolane
• CAS No.: 4351-10-4
• Molecular Formula: C10H20O2
• Molecular Weight: 172.268
• Hs Code.: 2932999099
• European Community (EC) Number: 224-413-2
• NSC Number: 406654,6566
• UNII: XZS283GZWC
• DSSTox Substance ID: DTXSID60863370
• Nikkaji Number: J42.131F
• Wikidata: Q27294076
• Metabolomics Workbench ID: 45410
• Mol file: 4351-10-4.mol

Synonyms:2-Hexyl-4-methyl-1,3-dioxolane;Heptanal propyleneglycol acetal;4351-10-4;Heptanal, cyclic propylene acetal;2-Hexyl-4-methyl-1,3-dioxolan;1,3-DIOXOLANE, 2-HEXYL-4-METHYL-;NSC 6566;XZS283GZWC;NSC-6566;EINECS 224-413-2;NSC 406654;NSC-406654;BRN 0105323;AI3-05026;1, 2-hexyl-4-methyl-;UNII-XZS283GZWC;CYCLIC PROPYLENE ACETAL;SCHEMBL876218;FEMA NO. 4368;DTXSID60863370;NSC6566;CHEBI:179550;NSC406654;AKOS006277947;HEPTANAL PROPYLENE GLYCOL ACETAL;LS-62567;(+/-)-HEPTANAL PROPYLENEGLYCOL ACETAL;2-hexyl-4-methyl-1,3-dioxolane, AldrichCPR;HEPTANAL PROPYLENEGLYCOL ACETAL [FHFI];HEPTANAL PROPYLENEGLYCOL ACETAL, (+/-)-;Q27294076

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

Chemical Property:

• Vapor Pressure: 0.35mmHg at 25°C
• Refractive Index: 1.4210 (estimate)
• Boiling Point: 205.9°C at 760 mmHg
• Flash Point: 74.2°C
• PSA: 18.46000
• Density: 0.886g/cm³
• LogP: 2.71820
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

2-HEXYL-4-METHYL-1,3-DIOXOLANE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1OCC(O1)C

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

There total 3 articles about 2-Hexyl-4-methyl-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:

heptanal (111-71-7) + methyloxirane (75-56-9,16033-71-9) → 2-hexyl-4-methyl-1,3-dioxolane (4351-10-4)

Guidance literature:

With tin(IV) chloride;

DOI:10.1021/ja01336a046

Reference yield:

propylene glycol (57-55-6,63625-56-9) + heptanal (111-71-7) → 2-hexyl-4-methyl-1,3-dioxolane (4351-10-4)

Guidance literature:

toluene-4-sulfonic acid; In benzene; Heating;

DOI:10.1021/j150648a038

Reference yield:

propylene glycol (57-55-6,63625-56-9) → 2-hexyl-4-methyl-1,3-dioxolane (4351-10-4)

Guidance literature:

With cation exchanger;

upstream raw materials:

heptanal

methyloxirane

propylene glycol

Downstream raw materials:

2-hydroxypropyl heptanoate

Refernces