2,4-Dimethyl-1,3-dioxolane

Base Information

• Chemical Name: 2,4-Dimethyl-1,3-dioxolane
• CAS No.: 3390-12-3
• Molecular Formula: C5H10O2
• Molecular Weight: 102.133
• Hs Code.: 2932999099
• European Community (EC) Number: 222-221-3
• UNII: ID1YRY20SD
• DSSTox Substance ID: DTXSID90863166
• Nikkaji Number: J205.483C
• Metabolomics Workbench ID: 45346
• Mol file: 3390-12-3.mol

Synonyms:2,4-Dimethyl-1,3-dioxolane;3390-12-3;1,3-Dioxolane, 2,4-dimethyl-;Acetaldehydepropylenegylcolacetal;ID1YRY20SD;1,3-Dioxolane, 2,4-dimethyl, cis;100760-25-6;Acetaldehyde pg acetal;propylene acetal;UNII-ID1YRY20SD;1192-36-5;SCHEMBL301680;FEMA NO. 4099;DTXSID90863166;CHEBI:173351;4-METHYLPYRAZOLEHYDROCHLORIDE;EINECS 222-221-3;MFCD00190653;AKOS006275203;1,3-Dioxolane, 2,4-dimethyl, trans;2,4-DIMETHYL, 1,3-DIOXALONE;AS-82774;ACETALDEHYDE CYCLIC PROPYLENE ACETAL;D5748;FT-0610150;FT-0691429;2,4-DIMETHYL-1,3-DIOXOLANE [FHFI];EN300-134030;F87919;Q27280665

Chemical Property of 2,4-Dimethyl-1,3-dioxolane

Chemical Property:

• Vapor Pressure: 45.585mmHg at 25°C
• Refractive Index: 1.393
• Boiling Point: 98.6 °C at 760 mmHg
• Flash Point: 13.8 °C
• PSA: 18.46000
• Density: 0.921 g/cm³
• LogP: 0.76770
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 102.068079557
• Heavy Atom Count: 7
• Complexity: 63.1

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dimethyl-1,3-dioxolane (cis- and trans- mixture) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1COC(O1)C

Technology Process of 2,4-Dimethyl-1,3-dioxolane

There total 17 articles about 2,4-Dimethyl-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:

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 2,4-dimethyl-1,3-dioxolane (3390-12-3) + 2-methyl-1,3-dioxolane-4-methanol (3773-93-1) + 3-hydroxy-2-oxo-propionaldehyde (997-10-4) + acrolein (107-02-8,25068-14-8)

Guidance literature:

With dihydrogen peroxide; In water; at 20 ℃; for 24h; Reagent/catalyst;

DOI:10.1039/c5cy00102a

Reference yield:

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 2,4-dimethyl-1,3-dioxolane (3390-12-3) + 2-methyl-1,3-dioxolane-4-methanol (3773-93-1) + ethanol (64-17-5) + 1-Propyl acetate (109-60-4) + 3-hydroxy-2-oxo-propionaldehyde (997-10-4) + acetic acid (64-19-7,77671-22-8) + propionic acid (802294-64-0,79-09-4) + Ethyl propionate (105-37-3,20741-13-3)

Guidance literature:

With dihydrogen peroxide; In water; at 40 ℃; for 24h; pH=4 - 6; Temperature; Reagent/catalyst; pH-value; Mechanism;

DOI:10.1039/c5cy00102a

Reference yield:

propylene glycol (57-55-6,63625-56-9) → 2,4-dimethyl-1,3-dioxolane (3390-12-3) + propan-1-ol (71-23-8) + 2-ethyl-4-methyl-1,3-dioxolane (4359-46-0) + 2-methylpropenal (78-85-3,25120-30-3) + 2-methyl-2-pentenal (14250-96-5,16958-22-8,623-36-9) + acetaldehyde (75-07-0,9002-91-9) + acetic acid (64-19-7,77671-22-8) + propionaldehyde (123-38-6) + propionic acid (802294-64-0,79-09-4) + allyl alcohol (107-18-6) + acetone (67-64-1) + acrolein (107-02-8,25068-14-8) + 4-methyl-1,3-dioxolane (1072-47-5)

Guidance literature:

With oxygen; In water; at 200 ℃; for 1h; Flow reactor;

DOI:10.1016/j.apcata.2019.05.036

upstream raw materials:

propylene glycol

1,1-dipentyloxyethane

ethyl vinyl ether

hydrogenchloride

Downstream raw materials:

(+/-)-2r,4t-dimethyl-[1,3]dioxolane

cis-2,4-Dimethyl-1,3-dioxolan

2-hydroxypropyl acetate

propane-1,2-diol 2-monoacetate

Refernces

• 1、 Bandinelli, Claudia,Basile, Francesco,Cavani, Fabrizio,Concepcion, Patricia,De Maron, Jacopo,Dimitratos, Nikolaos,Lambiase, Barbara,Nieto, Jose Manuel Lopez,Tabanelli, Tommaso. "A study of the oxidehydration of 1,2-propanediol to propanoic acid with bifunctional catalysts". . . Retrieved 2019/06/28.
• 2、 Romero, Jordi,Ventura, Francesc,Caixach, Josep,Rivera, Josep,Gode, Llui Xavier,Ninerola, Josep Ma.. "Identification of 1,3-dioxanes and 1,3-dioxolanes as malodorous compounds at trace levels in river water, groundwater, and tap water". . p. 206 - 216. Retrieved 2007/10/03.