1,3-Dioxan-5-ol

Base Information

• Chemical Name: 1,3-Dioxan-5-ol
• CAS No.: 4740-78-7
• Molecular Formula: C4H8O3
• Molecular Weight: 104.106
• Hs Code.: 29329900
• European Community (EC) Number: 225-248-9
• UNII: F6UP32GBII
• DSSTox Substance ID: DTXSID20197128
• Nikkaji Number: J262.422B
• Wikidata: Q27277728
• Mol file: 4740-78-7.mol

Synonyms:1,3-Dioxan-5-ol;4740-78-7;5-Hydroxy-1,3-dioxane;86687-05-0;1,3-Formalglycerol;m-Dioxan-5-ol;Glycerol formal, alpha,alpha';UNII-F6UP32GBII;F6UP32GBII;EINECS 225-248-9;MFCD00014645;5-Hydroxy-m-dioxane;Glycerol formal (=1,3-dioxan-5-ol);alpha,.alpha'glycerol formal;SCHEMBL337298;DTXSID20197128;BBL011466;STL146578;AKOS005720978;DS-18121;GLYCEROL FORMAL, .ALPHA.,.ALPHA';SY039164;FT-0622101;FT-0699554;G0391;Q27277728

Chemical Property of 1,3-Dioxan-5-ol

Chemical Property:

• Appearance/Colour: Clear liquid
• Vapor Pressure: 1.47E-07mmHg at 25°C
• Refractive Index: n20/D 1.451(lit.)
• Boiling Point: 193.8 °C at 760 mmHg
• PKA: 13.68±0.20(Predicted)
• Flash Point: 78.9 °C
• PSA: 38.69000
• Density: 1.217 g/cm³
• LogP: -0.64840
• Storage Temp.: 0-10°C
• Solubility.: Miscible with water and with ethanol (96 per cent).
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 104.047344113
• Heavy Atom Count: 7
• Complexity: 48.9

Purity/Quality:

99% ^*data from raw suppliers

Glycerol formal ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(COCO1)O
• Uses: Glycerol formal is used as a dye emulsifier and as a cosolvent for drug delivery.

Technology Process of 1,3-Dioxan-5-ol

There total 23 articles about 1,3-Dioxan-5-ol 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: 100.0%

O-benzyl-1,3-dioxan-5-ol (41128-92-1) → glycerol formal (4740-78-7)

Guidance literature:

With hydrogen; Pd/C; In ethyl acetate; at 20 ℃; for 12h;

Reference yield: 95.6%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 1,3-dioxolane-4-methanol (5464-28-8) + glycerol formal (4740-78-7)

Guidance literature:

With dihydrogen peroxide; nitric acid; cetyltrimethylammonim bromide; ferric nitrate; In water; at 80 ℃; for 5h; Reagent/catalyst; Temperature;

Reference yield: 62.0%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 1,3-dioxolane-4-methanol (5464-28-8) + glycerol formal (4740-78-7) + glycolic Acid (79-14-1) + ethyl 2-hydroxyacetate (623-50-7) + diglycerol (627-82-7) + oxiranyl-methanol (556-52-5) + hydroxy-2-propanone (116-09-6) + acrolein (107-02-8,25068-14-8)

Guidance literature:

With pretreated aluminium vanadium phosphate; In water; at 280 ℃; under 760.051 Torr; Reagent/catalyst; Temperature; Catalytic behavior; Activation energy;

DOI:10.1016/j.molcata.2016.05.015

upstream raw materials:

1,3-dioxan-5-ol benzoate

formaldehyd

glycerol

methanesulfonyl chloride

Downstream raw materials:

1,3-dioxan-5-ol benzoate

phenyl-carbamic acid-[1,3]dioxan-5-yl ester

1,3-dioxan-5-yl 4-methylbenzene-1-sulfonate

Refernces

• 1、 Chen, Lin,Nohair, Bendaoud,Kaliaguine, Serge. "Glycerol acetalization with formaldehyde using water-tolerant solid acids". . p. 143 - 152. Retrieved 2016.
• 2、 -. "Biomass alcoholysis method for petroleum-based plastic POM". Paragraph 0030-0052. . Retrieved 2021/05/01.
• 3、 Chagas, Poliane,Figueiredo, Marcio P.,Hensen, Emiel J. M.,Oliveira, Henrique S.,Oliveira, Luiz Carlos A.,Sangiorge, Daniel L.,Siqueira, Kisla P. F.. "A bifunctional catalyst based on Nb and v oxides over alumina: Oxidative cleavage of crude glycerol to green formic acid". . p. 8538 - 8544. Retrieved 2020/06/19.